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Search results for: '7790-87-6'
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2-oxa-6-azaspiro[3.4]octan-7-one
Cas Number: 1207174-87-5Formula: C6H9NO2Molecular weight: 127.143Synonyms: 2-Oxa-6-azaspiro[3.4]octan-7-one|1207174-87-5|2-oxa-7-azaspiro[3.4]octan-6-one|MFCD14586414|SCHEMBL2...SMILES: C1C(=O)NCC12COC2InChIKey: XOEBLSZYSCOXCH-UHFFFAOYSA-NInChI: InChI=1S/C6H9NO2/c8-5-1-6(2-7-5)3-9-4-6/h1-4H2,(H,7,8)
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(5-chlorothiophen-3-yl)methanol
Cas Number: 73919-87-6Formula: C5H5ClOSMolecular weight: 148.6Synonyms: (5-CHLOROTHIOPHEN-3-YL)METHANOL|73919-87-6|5-CHLOROTHIOPHENE-3-METHANOL|3-Thiophenemethanol, 5-chlor...SMILES: C1=C(SC=C1CO)ClInChIKey: RJCDMSXITBOXRL-UHFFFAOYSA-NInChI: InChI=1S/C5H5ClOS/c6-5-1-4(2-7)3-8-5/h1,3,7H,2H2
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2-(6-Fluoro-2,3-dihydro-1H-inden-1-yl)acetic acid
Cas Number: 1188044-87-2Formula: C11H11FO2Molecular weight: 194.2Synonyms: 2-(6-Fluoro-2,3-dihydro-1H-inden-1-yl)acetic acid|1188044-87-2|2-(6-Fluoro-1-indanyl)acetic Acid|(6-...SMILES: C1CC2=C(C1CC(=O)O)C=C(C=C2)FInChIKey: LHUYQQXFPZPNDL-UHFFFAOYSA-NInChI: InChI=1S/C11H11FO2/c12-9-4-3-7-1-2-8(5-11(13)14)10(7)6-9/h3-4,6,8H,1-2,5H2,(H,13,14)
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2-(Piperidin-1-ylsulfonyl)phenylboronic acid
Cas Number: 957034-87-6Formula: C11H16BNO4SMolecular weight: 269.1Synonyms: 957034-87-6|2-(Piperidin-1-ylsulfonyl)phenylboronic acid|(2-(Piperidin-1-ylsulfonyl)phenyl)boronic a...SMILES: B(C1=CC=CC=C1S(=O)(=O)N2CCCCC2)(O)OInChIKey: PTSWGJSCDHDBRA-UHFFFAOYSA-NInChI: InChI=1S/C11H16BNO4S/c14-12(15)10-6-2-3-7-11(10)18(16,17)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
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5-Chloro-2-fluoro-3-methylphenylboronic acid
Cas Number: 352535-87-6Formula: C7H7BClFO2Molecular weight: 188.39Synonyms: 5-Chloro-2-fluoro-3-methylphenylboronic acid|352535-87-6|(5-Chloro-2-fluoro-3-methylphenyl)boronic a...SMILES: B(C1=CC(=CC(=C1F)C)Cl)(O)OInChIKey: VPOGMSLEVIXAAC-UHFFFAOYSA-NInChI: InChI=1S/C7H7BClFO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,11-12H,1H3
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3-Bromo-2-methoxybenzaldehyde
Cas Number: 88275-87-0Formula: C8H7BrO2Molecular weight: 215Synonyms: 3-BROMO-2-METHOXYBENZALDEHYDE|88275-87-0|3-bromo-2-methoxy-benzaldehyde|MFCD09834811|2-bromo-6-formy...SMILES: COC1=C(C=CC=C1Br)C=OInChIKey: SZDPZQAPHXPVCN-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3
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3-(3,5-Dimethylphenyl)propanoic acid
Cas Number: 42287-87-6Formula: C11H14O2Molecular weight: 178.23Synonyms: 3-(3,5-DIMETHYLPHENYL)PROPANOIC ACID|42287-87-6|3,5-Dimethylbenzenepropanoic acid|MFCD09055207|3-(3,...SMILES: CC1=CC(=CC(=C1)CCC(=O)O)CInChIKey: CCPNDKXTGJGIIV-UHFFFAOYSA-NInChI: InChI=1S/C11H14O2/c1-8-5-9(2)7-10(6-8)3-4-11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)
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Guaijaverin
Cas Number: 22255-13-6Formula: C20H18O11Molecular weight: 434.35Synonyms: Guaijaverin|22255-13-6|Guajavarin|Guajaverin|CHEMBL464507|quercetin-3-arabinopyranoside|30370-87-7|M...SMILES: C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)OInChIKey: PZZRDJXEMZMZFD-IEGSVRCHSA-NInChI: InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1
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Vinylcyclohexene dioxide
Formula: C8H12O2Molecular weight: 140.18Synonyms: 4-Vinylcyclohexene dioxide|106-87-6|4-Vinyl-1-cyclohexene dioxide|4-Vinylcyclohexene diepoxide|3-(ox...SMILES: C1CC2C(O2)CC1C3CO3InChIKey: OECTYKWYRCHAKR-UHFFFAOYSA-NInChI: InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2
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4,6-Dichloro-3-formylcoumarin
Cas Number: 51069-87-5Formula: C10H4O3C12Molecular weight: 243.04Synonyms: 4,6-Dichloro-3-formylcoumarin|51069-87-5|4,6-DICHLORO-2-OXO-2H-CHROMENE-3-CARBALDEHYDE|4,6-dichloro-...SMILES: C1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C=O)ClInChIKey: OKMFWQALBSVSDG-UHFFFAOYSA-NInChI: InChI=1S/C10H4Cl2O3/c11-5-1-2-8-6(3-5)9(12)7(4-13)10(14)15-8/h1-4H
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Xanthine sodium salt
Cas Number: 1196-43-6Formula: C5H3N4NaO2Molecular weight: 174.09Synonyms: Xanthine sodium salt|1196-43-6|sodium;3H-purin-7-ide-2,6-dione|Xanthine sodium|68738-87-4|Xanthine, ...SMILES: C1=NC2=C([N-]1)C(=O)NC(=O)N2.[Na+]InChIKey: HKDXLLDCXWUUKY-UHFFFAOYSA-MInChI: InChI=1S/C5H4N4O2.Na/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1
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1,3-Bis(3-boronophenyl)urea
Cas Number: 957060-87-6Formula: C13H14B2N2O5Molecular weight: 299.9Synonyms: 1,3-Bis(3-boronophenyl)urea|957060-87-6|((Carbonylbis(azanediyl))bis(3,1-phenylene))diboronic acid|[...SMILES: B(C1=CC(=CC=C1)NC(=O)NC2=CC=CC(=C2)B(O)O)(O)OInChIKey: UQUQNYFFKZOTSS-UHFFFAOYSA-NInChI: InChI=1S/C13H14B2N2O5/c18-13(16-11-5-1-3-9(7-11)14(19)20)17-12-6-2-4-10(8-12)15(21)22/h1-8,19-22H,(H2,16,17,18)
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Amisulbrom
Cas Number: 348635-87-0Formula: C13H13BrFN5O4S2Molecular weight: 466.31Synonyms: Amisulbrom|348635-87-0|Amisulbrom [ISO]|3-((3-Bromo-6-fluoro-2-methyl-1H-indol-1-yl)sulfonyl)-N,N-di...SMILES: CC1=C(C2=C(N1S(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C=C(C=C2)F)BrInChIKey: BREATYVWRHIPIY-UHFFFAOYSA-NInChI: InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3
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1H-pyrazolo[3,4-b]pyridine-3-carbaldehyde
Cas Number: 1010073-87-6Formula: C7H5N3OMolecular weight: 147.137Synonyms: 1H-Pyrazolo[3,4-b]pyridine-3-carbaldehyde|1010073-87-6|1H-Pyrazolo[3,4-b]pyridine-3-carboxaldehyde|2...SMILES: C1=CC2=C(NN=C2N=C1)C=OInChIKey: INXAQTGUMZSHQY-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O/c11-4-6-5-2-1-3-8-7(5)10-9-6/h1-4H,(H,8,9,10)
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tert-Butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
Synonyms: 365996-87-8|TERT-BUTYL 2-(METHYLSULFONYL)-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE|tert-butyl 2...SMILES: CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)S(=O)(=O)CInChIKey: OWHKZXFLURWFDL-UHFFFAOYSA-NInChI: InChI=1S/C12H17N3O4S/c1-12(2,3)19-11(16)15-6-8-5-13-10(20(4,17)18)14-9(8)7-15/h5H,6-7H2,1-4H3
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5-fluoro-1H-indole-7-carboxylic acid
Cas Number: 875305-87-6Formula: C9H6FNO2Molecular weight: 179.15Synonyms: 5-fluoro-1H-indole-7-carboxylic Acid|875305-87-6|1H-Indole-7-carboxylic acid, 5-fluoro-|SCHEMBL51873...SMILES: C1=CNC2=C(C=C(C=C21)F)C(=O)OInChIKey: SXLQIJMLVHUFKL-UHFFFAOYSA-NInChI: InChI=1S/C9H6FNO2/c10-6-3-5-1-2-11-8(5)7(4-6)9(12)13/h1-4,11H,(H,12,13)
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5-Bromopyrimidine-2-carboxylic acid
Cas Number: 37131-87-6Formula: C5H3BrN2O2Molecular weight: 203Synonyms: 5-Bromopyrimidine-2-carboxylic acid|37131-87-6|5-Bromo-pyrimidine-2-carboxylic acid|MFCD00496793|5-B...SMILES: C1=C(C=NC(=N1)C(=O)O)BrInChIKey: XGPTXUYKEDPXCO-UHFFFAOYSA-NInChI: InChI=1S/C5H3BrN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,(H,9,10)
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Hexachloro-1,3-butadiene
Cas Number: 87-68-3(Methanol) EC Number: 201-765-5Formula: C4Cl6Molecular weight: 260.76Synonyms: Hexachlor-1,3-butadien | Hexachlorbutadiene | CAS-87-68-3 | Hexachloro-1,3-butadiene, PESTANAL(R), a...SMILES: C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)ClInChIKey: RWNKSTSCBHKHTB-UHFFFAOYSA-NInChI: InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
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2,6-Dimethylaniline
Cas Number: 87-62-7Formula: C8H11NMolecular weight: 121.18Synonyms: EC 201-758-7 | 1092805-08-7 | 2,6-Dimethylaniline | 2,6-Dimethyl-aniline | CAS-87-62-7 | (2,6-dimeth...SMILES: CC1=C(C(=CC=C1)C)NInChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-NInChI: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
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4-bromo-7-methyl-1H-pyrrolo[3,2-c]pyridine
Cas Number: 1082040-87-6Formula: C8H7N2BrMolecular weight: 211.06Synonyms: 4-Bromo-7-methyl-1H-pyrrolo[3,2-c]pyridine | 1082040-87-6 | AMY9618 | 1H-Pyrrolo[3,2-c]pyridine, 4-b...SMILES: CC1=CN=C(C2=C1NC=C2)BrInChIKey: REXQJHMTWUKWJR-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrN2/c1-5-4-11-8(9)6-2-3-10-7(5)6/h2-4,10H,1H3
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spiro[3.3]heptane-2-carboxylic acid
Synonyms: Spiro[3.3]heptane-2-carboxylic acid|28114-87-6|MFCD19228416|SCHEMBL11636846|spiro[3.3]heptane-2-carb...SMILES: C1CC2(C1)CC(C2)C(=O)OInChIKey: FUQHLUSGMOSPRQ-UHFFFAOYSA-NInChI: InChI=1S/C8H12O2/c9-7(10)6-4-8(5-6)2-1-3-8/h6H,1-5H2,(H,9,10)
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6-Amino-1-naphthol-3-sulfonic Acid
Cas Number: 87-02-5Formula: C10H9NO4SMolecular weight: 239.25Synonyms: CAS-87-02-5 | EC 201-718-9 | 3-amino-8-naphthol-6-sulfonic acid | NCGC00249193-01 | Kyselina I [Czec...SMILES: C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)O)OInChIKey: KYARBIJYVGJZLB-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
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4-Bromo-1-(dimethoxymethyl)-2-fluorobenzene
Cas Number: 439814-87-6Formula: C9H10BrFO2Molecular weight: 249.08Synonyms: 4-Bromo-1-(dimethoxymethyl)-2-fluorobenzene|439814-87-6|4-Bromo-2-fluorobenzaldehyde dimethyl acetal...SMILES: COC(C1=C(C=C(C=C1)Br)F)OCInChIKey: LUBJMTAUCIBGNJ-UHFFFAOYSA-NInChI: InChI=1S/C9H10BrFO2/c1-12-9(13-2)7-4-3-6(10)5-8(7)11/h3-5,9H,1-2H3
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4-Iodo-3-methylbenzoic acid
Cas Number: 52107-87-6Formula: C8H7IO2Molecular weight: 262.04Synonyms: 4-Iodo-3-methylbenzoic acid|52107-87-6|4-Iodo-3-MethylbenzoicAcid|3-methyl-4-iodobenzoic acid|4-iodo...SMILES: CC1=C(C=CC(=C1)C(=O)O)IInChIKey: DKMIWBBIVNNAMG-UHFFFAOYSA-NInChI: InChI=1S/C8H7IO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
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