CAS: 72-48-0 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001201 InChI Key: RGCKGOZRHPZPFP-UHFFFAOYSA-N Synonym: alizarine red, alizarina, alizarine, 1,2-anthraquinonediol, turkey red, alizarin b, 1,2-dihydroxyanthraquinone, mordant red 11, alizarin red, alizarin PubChem CID: 6293 ChEBI: CHEBI:16866 IUPAC Name: 1,2-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O

CAS: 206752-32-1 Molecular Formula: C17H14NNaO9S2 Molecular Weight (g/mol): 463.41 MDL Number: MFCD00149588 InChI Key: BEDIAJJRAYEWBI-UHFFFAOYSA-M Synonym: sodium 5-hydroxy-4-2-hydroxyphenyl methylidene amino-7-sulfonaphthalene-2-sulfonate hydrate, 4-hydroxy-5-e-2-hydroxyphenyl methylidene amino-7-sodiooxysulfonyl naphthalene-2-sulfonic acid hydrate, azomethin-h monosodium salt hydrate, sodium 5-hydroxy-4-e-2-hydroxyphenyl methylidene amino-7-sulfonaphthalene-2-sulfonate hydrate, sodium 5-hydroxy-4-2-hydroxybenzylidene amino-7-sulfonaphthalene-2-sulfonate hydrate PubChem CID: 122198137 SMILES: O.[Na+].OC1=CC(=CC2=CC(=CC(NC=C3C=CC=CC3=O)=C12)S(O)(=O)=O)S([O-])(=O)=O

CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: 2-oxopropansaeure, 2-oxo-propionic acid, propanoic acid, 2-oxo, 2-oxopropanoate, 2-ketopropionic acid, alpha-ketopropionic acid, acetylformic acid, 2-oxopropionic acid, pyroracemic acid, pyruvic acid PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O

CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: zlchem 344, ethanone, 1-2-fluoro-4-methoxyphenyl, 2-fluoro-4-methoxy-acetophenone, 2'-fluor-4'-methoxyacetophenone, 1-acetyl-2-fluoro-4-methoxybenzene, 4-acetyl-3-fluoroanisole, 1-2-fluoro-4-methoxyphenyl ethan-1-one, 1-2-fluoro-4-methoxyphenyl ethanone, 2-fluoro-4-methoxyacetophenone, 2'-fluoro-4'-methoxyacetophenone PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C(C)=O)C(F)=C1

CAS: 94-67-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00002120 InChI Key: GFCNBJDXQMZOOC-WAYWQWQTSA-N Synonym: salicylideneaminoalcohol, 2-1e-hydroxyimino methyl phenol, orihzizptztncu-vmpitwqzsa-n, orihzizptztncu-uhfffaoysa-n, e-2-hydroxybenzaldehyde oxime, 6-hydroxyamino methylidene cyclohexa-2,4-dien-1-one, 2-hydroxyimino methyl phenol, salicylaldehyde oxime, 2-hydroxybenzaldehyde oxime, salicylaldoxime PubChem CID: 6740756 IUPAC Name: 6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one SMILES: ON\C=C1\C=CC=CC1=O

CAS: 40188-45-2 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.26 MDL Number: MFCD00798556 InChI Key: FGWZEOPEZISTTR-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl butanamid, acebutolol impurity c, 5'-butyramido-2'-hydroxyacetophenone, butanamide, n-3-acetyl-4-hydroxyphenyl, 3'-acetyl-4'-hydroxybutyranilide, unii-14qjb65r4v, ac-hophe-oh, n-3-acetyl-4-hydroxyphenyl butyramide, n-3-acetyl-4-hydroxyphenyl butanamide, 2-acetyl-4-butyramidophenol PubChem CID: 736331 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)butanamide SMILES: CCCC(=O)NC1=CC=C(O)C(=C1)C(C)=O

CAS: 121-71-1 Molecular Formula: C₈H₈O₂ Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3-acetophenol, 3-hydroxy acetophenone, m-acetylphenol, ethanone, 1-3-hydroxyphenyl, 1-3-hydroxyphenyl ethan-1-one, 3-acetylphenol, m-hydroxyacetophenone, 1-3-hydroxyphenyl ethanone, 3-hydroxyacetophenone, 3'-hydroxyacetophenone PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O

CAS: 1226-42-2 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00008405 InChI Key: YNANGXWUZWWFKX-UHFFFAOYSA-N Synonym: 1,2-bis 4-methoxyphenyl-1,2-ethanedione, 1,2-ethanedione, 1,2-bis 4-methoxyphenyl, p,p'-dimethoxybenzil, di-p-anisoyl, ethanedione, bis 4-methoxyphenyl, bis 4-methoxyphenyl ethanedione, 1,2-bis 4-methoxyphenyl ethane-1,2-dione, p-anisil, anisil, 4,4'-dimethoxybenzil PubChem CID: 71043 IUPAC Name: 1,2-bis(4-methoxyphenyl)ethane-1,2-dione SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC

CAS: 42472-69-5 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD04974025 InChI Key: WHFPFLKZXFBCSO-UHFFFAOYSA-N Synonym: ethanone,1-4-ethynylphenyl, 1-4-ethynylphenyl-ethanone, 4-acetylphenyl acetylene, 4-acetylphenylethyne, 1-4-ethynylphenyl ethan-1-one, 4'-ethynylacetophenone, ethanone, 1-4-ethynylphenyl, 4-acetylphenylacetylene, 1-4-ethynyl-phenyl-ethanone, 1-4-ethynylphenyl ethanone PubChem CID: 5123626 IUPAC Name: 1-(4-ethynylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C#C

CAS: 5398-11-8 MDL Number: MFCD00023099

CAS: 149105-11-3 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD01091005 InChI Key: HKRUXZJKSFFSGF-UHFFFAOYSA-N Synonym: 5-acetyl-2-hydroxybenzotrifluoride, intermediates-zcf02143, acmc-1bxyq, ethanone,1-4-hydroxy-3-trifluoromethyl phenyl, 1-4-hydroxy-3-trifluoromethylphenyl ethanone, 1-4-hydroxy-3-trifluoromethyl phenyl ethan-1-one, 4'-hydroxy-3'-trifluoromethyl acetophenone, 1-4-hydroxy-3-trifluoromethyl phenyl ethanone, 4-hydroxy-3-trifluoromethyl acetophenone PubChem CID: 2775109 IUPAC Name: 1-[4-hydroxy-3-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=C(C=C1)O)C(F)(F)F

CAS: 13670-99-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00000328 InChI Key: VGIIILXIQLXVLC-UHFFFAOYSA-N Synonym: intermediates-zcf02054, pubchem4218, fr cf bv1, 1-acetyl-2,6-difluorobenzene, acetophenone, 2',6'-difluoro, ethanone, 1-2,6-difluorophenyl, 1-2,6-difluorophenyl ethan-1-one, 2,6-difluoroacetophenone, 1-2,6-difluorophenyl ethanone, 2',6'-difluoroacetophenone PubChem CID: 83643 SMILES: CC(=O)C1=C(F)C=CC=C1F

CAS: 518-82-1 Molecular Formula: C₁₅H₁₀O₅ Molecular Weight (g/mol): 270.23 MDL Number: MFCD00001207 InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N Synonym: 1,3,8-trihydroxy-6-methyl-9,10-anthraquinone, persian berry lake, archin, 3-methyl-1,6,8-trihydroxyanthraquinone, frangulic acid, rheum emodin, frangula emodin, emodol, schuttgelb, emodin PubChem CID: 3220 ChEBI: CHEBI:42223 IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O

CAS: 175135-93-0 Molecular Formula: C10H10BrClO Molecular Weight (g/mol): 261.543 MDL Number: MFCD00067862 InChI Key: RGMFWCVOMGKIJM-UHFFFAOYSA-N Synonym: 2-bromanyl-1-3-chloranyl-4-methyl-phenyl propan-1-one, 2-bromo-1-3-chloro-4-methylphenyl-1-propanone, 2-bromo-3'-chloro-4'methyl propiophenone, 1-propanone,2-bromo-1-3-chloro-4-methylphenyl, 2-bromo-3'-chloro-4'-methylpropiophenone, 2-bromo-1-3-chloro-4-methylphenyl propan-1-one PubChem CID: 2774950 IUPAC Name: 2-bromo-1-(3-chloro-4-methylphenyl)propan-1-one SMILES: CC1=C(C=C(C=C1)C(=O)C(C)Br)Cl

CAS: 814-75-5 Molecular Formula: C₄H₇BrO Molecular Weight (g/mol): 151 MDL Number: MFCD00013538 InChI Key: BNBOUFHCTIFWHN-UHFFFAOYSA-N Synonym: 3-bromo-butan-2-on, 2-bromo-3-oxobutane, 3-bromo-2-butanon, 3-bromobutanone, 2-bromobutan-2-one, 1-bromoethyl methyl ketone, 3-bromo-butan-2-one, 2-bromo-3-butanone, 2-butanone, 3-bromo, 3-bromo-2-butanone PubChem CID: 13142 IUPAC Name: 3-bromobutan-2-one SMILES: CC(C(=O)C)Br

CAS: 4594-78-9 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00013797 InChI Key: SPTVCXKSSRBTMN-UHFFFAOYNA-N Synonym: 2-oxocyclohexanepropiononitrile, 2-b-cyanoethyl cyclohexanone, 2-.beta.-cyanoethyl cyclohexanone, 2-oxocyclohexanepropionitrile, cyclohexanepropionitrile, 2-oxo, 2-oxo-1-cyclohexanepropionitrile, 2-2-cyanethyl cyclohexanone, cyclohexanepropanenitrile, 2-oxo, 2-2-cyanoethyl cyclohexanone, 3-2-oxocyclohexyl propanenitrile PubChem CID: 96223 IUPAC Name: 3-(2-oxocyclohexyl)propanenitrile SMILES: O=C1CCCCC1CCC#N

CAS: 21306-21-8 Molecular Formula: C₆Cl₆O Molecular Weight (g/mol): 300.77 MDL Number: MFCD00019431 InChI Key: BBLJNWQYENOWPH-UHFFFAOYSA-N Synonym: 2,4-cyclohexadien-1-one, 2,3,4,5,6,6-hexachloro, 2,4-cyclohexadien-1-one,2,3,4,5,6,6-hexachloro, hexachloro-2,4-cyclohexadiene-1-one, hexachloro-2,4-cyclohexadienone, hexachloro-c6one, hexachlorocyclohexa-2,4-dien-1-one, 2,3,4,5,6,6-hexachloro-2,4-cyclohexadienone, 2,3,4,5,6,6-hexachlorocyclohexa-2,4-dienone, 2,3,4,5,6,6-hexachloro-2,4-cyclohexadien-1-one PubChem CID: 152418 IUPAC Name: 2,3,4,5,6,6-hexachlorocyclohexa-2,4-dien-1-one SMILES: C1(=C(C(=O)C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl

CAS: 88-15-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.173 MDL Number: MFCD00005442 InChI Key: WYJOVVXUZNRJQY-UHFFFAOYSA-N Synonym: 2-thienyl methyl ketone, ketone, methyl 2-thienyl, 2-acetyl thiophene, ethanone, 1-2-thienyl, 2-acetothiophene, 2-acetothienone, methyl 2-thienyl ketone, 1-thiophen-2-yl-ethanone, 1-2-thienyl ethanone, 2-acetylthiophene PubChem CID: 6920 IUPAC Name: 1-thiophen-2-ylethanone SMILES: CC(=O)C1=CC=CS1

CAS: 6781-42-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00008740 InChI Key: VCHOFVSNWYPAEF-UHFFFAOYSA-N Synonym: m-diacetyl benzene, 1-3-acetylphenyl ethan-1-one, 1-3-acetylphenyl ethanone, m-acetyl acetophenone, m-acetylacetophenone, benzene-1,3-bis acetyl, m-diacetylbenzene, ethanone, 1,1'-1,3-phenylene bis, 1,1'-1,3-phenylene diethanone, 1,3-diacetylbenzene PubChem CID: 23229 SMILES: CC(=O)C1=CC(=CC=C1)C(C)=O

CAS: 103404-75-7 Molecular Formula: C11H7N2NaO3S2 Molecular Weight (g/mol): 302.298 MDL Number: MFCD11865368 InChI Key: BZNVUYVALNTPBG-QWLWRJJTSA-M Synonym: Firefly Luciferin monosodium salt monohydrate PubChem CID: 133109097 IUPAC Name: sodium;(2E,4R)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylate SMILES: C1C(NC(=C2N=C3C=CC(=O)C=C3S2)S1)C(=O)[O-].[Na+]

CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: maybridge1_004670, acmc-1cqmb, m-chlorophenacyl cyanide, pubchem12046, beta-ketonitrile 5b, 3-3-chlorophenyl-3-oxo-propanenitrile, 3-chlorobenzoyl acetonitrile, 3-chlorophenacylcyanide, 3-3-chlorophenyl-3-oxopropanenitrile, 3-chlorobenzoylacetonitrile PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N

CAS: 1072-82-8 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00067759 InChI Key: KHHSXHXUQVNBGA-UHFFFAOYSA-N Synonym: 3-acetyl-1h-pyrroline, pubchem22508, 3-acetyl pyrrole, 3-acetyl-1h-pyrrole, 1-1h-pyrrol-3-yl-ethanone, ethanone, 1-1h-pyrrol-3-yl, 1-1h-pyrrol-3-yl ethan-1-one, 1-1h-pyrrol-3-yl ethanone, 3-acetylpyrrole PubChem CID: 2737793 IUPAC Name: 1-(1H-pyrrol-3-yl)ethanone SMILES: CC(=O)C1=CNC=C1

CAS: 431-67-4 Molecular Formula: C3HBr2F3O Molecular Weight (g/mol): 269.843 MDL Number: MFCD00041362 InChI Key: HEPPAPZASXFWTB-UHFFFAOYSA-N Synonym: 1,1-di-bromo-3,3,3-trifluoroacetone, l,l-dibromo-3,3,3-trifluoroacetone, ksc237m8t, 3,3-dibromotrifluoroacetone, pubchem12627, dibromotrifluoroaceton, 2-propanone, 3,3-dibromo-1,1,1-trifluoro, 3,3-dibromo-1,1,1-trifluoro-propan-2-one, 3,3-dibromo-1,1,1-trifluoroacetone, 1,1-dibromo-3,3,3-trifluoroacetone PubChem CID: 550523 IUPAC Name: 3,3-dibromo-1,1,1-trifluoropropan-2-one SMILES: C(C(=O)C(F)(F)F)(Br)Br

CAS: 100-19-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007355 InChI Key: YQYGPGKTNQNXMH-UHFFFAOYSA-N Synonym: pnap, ethanone, 1-4-nitrophenyl, 1-4-nitrophenyl ethan-1-one, p-nitrophenyl methyl ketone, paranitroacetophenone, p-acetylnitrobenzene, 1-4-nitrophenyl ethanone, 4-nitroacetophenone, 4'-nitroacetophenone, p-nitroacetophenone PubChem CID: 7487 ChEBI: CHEBI:28735 IUPAC Name: 1-(4-nitrophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)[N+]([O-])=O

CAS: 400-93-1 Molecular Formula: C8H6FNO3 Molecular Weight (g/mol): 183.138 MDL Number: MFCD00115369 InChI Key: PTCNZDJJIOLIKQ-UHFFFAOYSA-N Synonym: 3'-nitro-4'-fluoroacetophenone, 4-fluoro-3-nitroacetophneone, ethanone, 1-4-fluoro-3-nitrophenyl, 4-fluoro-3'-nitroacetophenone, 1-4-fluoro-3-nitro-phenyl ethanone, 1-4-fluoro-3-nitrophenyl ethan-1-one, 4-fluoro-3-nitroacetophenone, 1-4-fluoro-3-nitrophenyl ethanone, 4'-fluoro-3'-nitroacetophenone PubChem CID: 2734612 IUPAC Name: 1-(4-fluoro-3-nitrophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]

CAS: 63131-29-3 Molecular Formula: C10H9FO3 Molecular Weight (g/mol): 196.177 MDL Number: MFCD00000355 InChI Key: HGLVYXXPRSNKQN-UHFFFAOYSA-N Synonym: acmc-209nd6, pubchem16721, benzenepropanoic acid, 4-fluoro-.beta.-oxo-, methyl ester, benzenepropanoic acid, 4-fluoro-beta-oxo-, methyl ester, 3-4-fluoro-phenyl-3-oxo-propionic acid methyl ester, methyl 4'-fluorobenzoylacetate, 4-fluorobenzoylacetic acid methyl ester, methyl p-fluorobenzoylacetate, methyl 3-4-fluorophenyl-3-oxopropanoate, methyl 4-fluorobenzoylacetate PubChem CID: 579425 IUPAC Name: methyl 3-(4-fluorophenyl)-3-oxopropanoate SMILES: COC(=O)CC(=O)C1=CC=C(C=C1)F

CAS: 16184-89-7 Molecular Formula: C8H4BrF3O Molecular Weight (g/mol): 253.018 MDL Number: MFCD00191862 InChI Key: IHGSAQHSAGRWNI-UHFFFAOYSA-N Synonym: 4'-bromo-2,2,2-trifluoroaceto-phenone, 4'-bromo-2,2,2-trifluoracetophenone, 4-trifluoroacetylbromobenzene, intermediates-zcf02216, 1-4-bromophenyl-2,2,2-trifluoro-1-ethanone, ethanone, 1-4-bromophenyl-2,2,2-trifluoro, 1-4-bromo-phenyl-2,2,2-trifluoro-ethanone, 1-4-bromophenyl-2,2,2-trifluoroethan-1-one, 1-4-bromophenyl-2,2,2-trifluoroethanone, 4'-bromo-2,2,2-trifluoroacetophenone PubChem CID: 603866 IUPAC Name: 1-(4-bromophenyl)-2,2,2-trifluoroethanone SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)Br

CAS: 1009-14-9 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00009480 InChI Key: XKGLSKVNOSHTAD-UHFFFAOYSA-N Synonym: valerophenone, 8ci, 1-benzoylbutane, n-butyl phenyl ketone, unii-f27q043nt1, 1-pentanone, 1-phenyl, 1-phenyl-1-pentanone, pentanophenone, butyl phenyl ketone, valerophenone PubChem CID: 66093 ChEBI: CHEBI:36812 IUPAC Name: 1-phenylpentan-1-one SMILES: CCCCC(=O)C1=CC=CC=C1