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Phenols
Description:
Compounds containing a phenol moiety, which is a benzene bearing a hydroxyl group.
Ancestors:
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4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenolCas Number: 1196985-65-5 Compound CID: 72219564Formula: C13H19BO3 Molecular Weight: 234.1IUPAC Name: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenolSMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)CInChIKey: VYEXCFTWIDNOKN-UHFFFAOYSA-NInChI: InChI=1S/C13H19BO3/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8,15H,1-5H3
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4-Hydroxy-3-(methoxy-D3)benzaldehydeCas Number: 74495-74-2 Compound CID: 10749408Formula: C8H5D3O3IUPAC Name: 4-hydroxy-3-(trideuteriomethoxy)benzaldehydeSMILES: COC1=C(C=CC(=C1)C=O)OInChIKey: MWOOGOJBHIARFG-FIBGUPNXSA-NInChI: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i1D3
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3-Hydroxymandelic AcidFormula: C8H8O4 Molecular Weight: 168.15IUPAC Name: 2-hydroxy-2-(3-hydroxyphenyl)acetic acidSMILES: C1=CC(=CC(=C1)O)C(C(=O)O)OInChIKey: OLSDAJRAVOVKLG-UHFFFAOYSA-NInChI: InChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
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2-fluoro-4,6-dinitrophenolCas Number: 2265-90-9Formula: C6H3FN2O5 Molecular Weight: 202.10SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)F)[N+](=O)[O-]InChIKey: GCFZQMCJLYJALN-UHFFFAOYSA-NInChI: InChI=1S/C6H3FN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H
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2-amino-3-bromo-5-nitrophenolCas Number: 915156-09-1 Compound CID: 49766558Formula: C6H5BrN2O3 Molecular Weight: 233.02IUPAC Name: 2-amino-3-bromo-5-nitrophenolSMILES: C1=C(C=C(C(=C1O)N)Br)[N+](=O)[O-]InChIKey: BQFCKIRFZPVBJL-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O3/c7-4-1-3(9(11)12)2-5(10)6(4)8/h1-2,10H,8H2
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2-bromo-5-methyl-benzene-1,4-diolCas Number: 67289-05-8Formula: C7H7BrO2 Molecular Weight: 203.0333SMILES: CC1=CC(=C(C=C1O)Br)OInChIKey: RYCDETQSXYAKQS-UHFFFAOYSA-NInChI: InChI=1S/C7H7BrO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3,9-10H,1H3
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2-Aminobenzene-1,4-diol hydrochlorideCas Number: 32190-95-7 Compound CID: 13685047Formula: C6H8ClNO2 Molecular Weight: 161.58IUPAC Name: 2-aminobenzene-1,4-diol;hydrochlorideSMILES: C1=CC(=C(C=C1O)N)O.ClInChIKey: JVYHTZHTBQZEIV-UHFFFAOYSA-NInChI: InChI=1S/C6H7NO2.ClH/c7-5-3-4(8)1-2-6(5)9;/h1-3,8-9H,7H2;1H
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2-(tert-Butyl)-6-nitrophenolCas Number: 18515-04-3 Compound CID: 14923120Formula: C10H13NO3 Molecular Weight: 195.21IUPAC Name: 2-tert-butyl-6-nitrophenolSMILES: CC(C)(C)C1=C(C(=CC=C1)[N+](=O)[O-])OInChIKey: GNGBGYYGJIJQGM-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO3/c1-10(2,3)7-5-4-6-8(9(7)12)11(13)14/h4-6,12H,1-3H3
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1,2-Benzenediol, 3-bromo-5-chloro-Cas Number: 180995-18-0 Compound CID: 17761052Formula: C6H4BrClO2 Molecular Weight: 223.46IUPAC Name: 3-bromo-5-chlorobenzene-1,2-diolSMILES: C1=C(C=C(C(=C1O)O)Br)ClInChIKey: CZDVOQBFSGTTEI-UHFFFAOYSA-NInChI: InChI=1S/C6H4BrClO2/c7-4-1-3(8)2-5(9)6(4)10/h1-2,9-10H
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DL-Normetanephrine-d3 hydrochlorideCas Number: 1085333-97-6Formula: C9H11D3ClNO3 Molecular Weight: 222.68IUPAC Name: 4-(2-amino-1,2,2-trideuterio-1-hydroxyethyl)-2-methoxyphenol;hydrochlorideSMILES: COC1=C(C=CC(=C1)C(CN)O)O.ClInChIKey: VKFPRGQZWKTEON-IJJJTAPTSA-NInChI: InChI=1S/C9H13NO3.ClH/c1-13-9-4-6(8(12)5-10)2-3-7(9)11;/h2-4,8,11-12H,5,10H2,1H3;1H/i5D2,8D;Synonyms: Normetanephrine-d3 hydrochloride | (±)-Normetanephrine-d3 hydrochloride | DL-Normetanephrine-d3 hydrochloride | (Rac)...
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4-Bromophenol-2,3,5,6-d4Cas Number: 152404-44-9Formula: C6HD4BrO Molecular Weight: 177.03IUPAC Name: 4-bromo-2,3,5,6-tetradeuteriophenolSMILES: C1=CC(=CC=C1O)BrInChIKey: GZFGOTFRPZRKDS-RHQRLBAQSA-NInChI: InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H/i1D,2D,3D,4DSynonyms: p-Bromophenol-d4 | 4-Hydroxybromobenzene-d4 | 4-Hydroxyphenyl bromide-d4
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m-Cresol-d8Cas Number: 302911-90-6Formula: CD3C6D4OD Molecular Weight: 116.19IUPAC Name: 1,2,3,5-tetradeuterio-4-deuteriooxy-6-(trideuteriomethyl)benzeneSMILES: CC1=CC(=CC=C1)OInChIKey: RLSSMJSEOOYNOY-IWRLGKISSA-NInChI: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/i1D3,2D,3D,4D,5D/hDSynonyms: Phen-2,3,4,6-d4-ol-d, 5-(methyl-d3)- (9CI), 3-(Methyl-d3)phenol-hydroxy,2,4,5,6-d5, m-Cresol-d7, 1-(Hydroxy-d)-3-(met...

