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Search results for: '1445951-06-3'
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Methyl 2-bromo-3-furoate
Cas Number: 197846-06-3Formula: C6H5BrO3Molecular weight: 205Synonyms: Methyl 2-bromofuran-3-carboxylate|197846-06-3|Methyl 2-bromo-3-furoate|3-Furancarboxylic acid, 2-bro...SMILES: COC(=O)C1=C(OC=C1)BrInChIKey: XXUUZVIMSVBWIQ-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrO3/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3
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3-Iodo-4-methoxyaniline, HCl
Cas Number: 261173-06-2Formula: C7H8INO.ClHMolecular weight: 285.5Synonyms: 3-IODO-4-METHOXYANILINE HYDROCHLORIDE|261173-06-2|3-iodo-4-methoxyaniline;hydrochloride|3-Iodo-4-met...SMILES: COC1=C(C=C(C=C1)N)I.ClInChIKey: SLPNYLFTKXGWMH-UHFFFAOYSA-NInChI: InChI=1S/C7H8INO.ClH/c1-10-7-3-2-5(9)4-6(7)8;/h2-4H,9H2,1H3;1H
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Estriol 3-(β-D-glucuronide) sodium salt
Cas Number: 15087-06-6Formula: C24H32O9 • NaMolecular weight: 487.5Synonyms: FT-0764291 | DTXSID40585144 | Estriol 3-( beta -D-glucuronide) sodium salt | Estriol 3-(beta-D-glucu...SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O.[Na]InChIKey: OMEVKFHIFIXRHB-UHFFFAOYSA-NInChI: InChI=1S/C24H32O9.Na/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29;/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31);
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1-[(tert-butoxy)carbonyl]-3-ethylazetidine-3-carboxylic acid
Cas Number: 610791-06-5Formula: C11H19NO4Molecular weight: 229.276Synonyms: 610791-06-5|1-[(tert-butoxy)carbonyl]-3-ethylazetidine-3-carboxylic acid|1-BOC-3-ETHYL-3-AZETIDINECA...SMILES: CCC1(CN(C1)C(=O)OC(C)(C)C)C(=O)OInChIKey: JKONCKLGHQSUMN-UHFFFAOYSA-NInChI: InChI=1S/C11H19NO4/c1-5-11(8(13)14)6-12(7-11)9(15)16-10(2,3)4/h5-7H2,1-4H3,(H,13,14)
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m-Toluoyl chloride
Formula: C8H7ClOMolecular weight: 154.59Synonyms: 3-Methylbenzoyl chloride|m-Toluoyl chloride|1711-06-4|m-Methylbenzoyl chloride|3-Toluoyl chloride|To...SMILES: CC1=CC(=CC=C1)C(=O)ClInChIKey: YHOYYHYBFSYOSQ-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
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1-cyclopropyl-1H-pyrazol-3-amine
Cas Number: 1240565-06-3Formula: C6H9N3Molecular weight: 123.159Synonyms: 1-Cyclopropyl-1H-pyrazol-3-amine|1240565-06-3|3-Amino-1-cyclopropylpyrazole|1-cyclopropylpyrazol-3-a...SMILES: C1CC1N2C=CC(=N2)NInChIKey: STMPPAXSPFYJIM-UHFFFAOYSA-NInChI: InChI=1S/C6H9N3/c7-6-3-4-9(8-6)5-1-2-5/h3-5H,1-2H2,(H2,7,8)
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3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridine
Cas Number: 1310405-06-1Formula: C12H15BF3NO2Molecular weight: 273.06Synonyms: A888605 | 4-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester | 1310405-06-1 | Z1367125783 | Py...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2)C(F)(F)FInChIKey: SDGOTRHPGTVUOZ-UHFFFAOYSA-NInChI: InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)9-7-17-6-5-8(9)12(14,15)16/h5-7H,1-4H3
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3-Chloro-2-methoxyisonicotinic acid
Cas Number: 1211584-06-3Formula: C7H6ClNO3Molecular weight: 187.58Synonyms: 3-Chloro-2-methoxyisonicotinic acid|1211584-06-3|3-chloro-2-methoxypyridine-4-carboxylic acid|3-Chlo...SMILES: COC1=NC=CC(=C1Cl)C(=O)OInChIKey: GLKKQNFVOGCQFU-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClNO3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3H,1H3,(H,10,11)
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trans-4-(hydroxymethyl)piperidin-3-ol hydrochloride
Cas Number: 955028-06-5Synonyms: 955028-06-5 | trans-4-(Hydroxymethyl)-3-piperidinol hydrochloride | trans-4-(Hydroxymethyl)piperidin...SMILES: C1CNCC(C1CO)O.ClInChIKey: BPOSFSLEEORCKE-IBTYICNHSA-NInChI: InChI=1S/C6H13NO2.ClH/c8-4-5-1-2-7-3-6(5)9;/h5-9H,1-4H2;1H/t5-,6+;/m1./s1
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3-(4-Carboxy-3-fluorophenyl)-5-methoxybenzoic acid
Cas Number: 1261970-06-2Formula: C15H11FO5Molecular weight: 290.2Synonyms: 1261970-06-2|3'-Fluoro-5-methoxy-[1,1'-biphenyl]-3,4'-dicarboxylic acid|3-(4-CARBOXY-3-FLUOROPHENYL)...SMILES: COC1=CC(=CC(=C1)C(=O)O)C2=CC(=C(C=C2)C(=O)O)FInChIKey: XSOSNMBMBVAPKW-UHFFFAOYSA-NInChI: InChI=1S/C15H11FO5/c1-21-11-5-9(4-10(6-11)14(17)18)8-2-3-12(15(19)20)13(16)7-8/h2-7H,1H3,(H,17,18)(H,19,20)
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3'-Chlorobiphenyl-3-carboxylic acid
Cas Number: 168619-06-5Formula: C13H9ClO2Molecular weight: 232.7Synonyms: 168619-06-5|3'-Chlorobiphenyl-3-carboxylic acid|3'-Chloro-biphenyl-3-carboxylic acid|3-(3-chlorophen...SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)ClInChIKey: CUYOMAWUBKMNDE-UHFFFAOYSA-NInChI: InChI=1S/C13H9ClO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,(H,15,16)
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YKL-06-062
Cas Number: 2172617-16-0(DMSO)Formula: C31H39N7OMolecular weight: 525.69SMILES: CC1=C(C(=CC=C1)C)N2CC3=CN=C(N=C3N(C2=O)C4CCCCC4)NC5=CC=C(C=C5)N6CCN(CC6)C
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1-[(tert-butoxy)carbonyl]-3-hydroxyazetidine-3-carboxylic acid
Cas Number: 1035351-06-4Formula: C9H15NO5Molecular weight: 217.221Synonyms: 1035351-06-4|1-(tert-Butoxycarbonyl)-3-hydroxyazetidine-3-carboxylic acid|1-[(tert-butoxy)carbonyl]-...SMILES: CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)OInChIKey: JUVBVTZAIHSJDI-UHFFFAOYSA-NInChI: InChI=1S/C9H15NO5/c1-8(2,3)15-7(13)10-4-9(14,5-10)6(11)12/h14H,4-5H2,1-3H3,(H,11,12)
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Methyl 3-ethynylbenzoate
Cas Number: 10602-06-9Formula: C10H8O2Molecular weight: 160.172Synonyms: Methyl 3-ethynylbenzoate|10602-06-9|3-ETHYNYL-BENZOIC ACID METHYL ESTER|3-Ethynylbenzoic acid methyl...SMILES: COC(=O)C1=CC=CC(=C1)C#CInChIKey: DDXZMLZQQWVSRX-UHFFFAOYSA-NInChI: InChI=1S/C10H8O2/c1-3-8-5-4-6-9(7-8)10(11)12-2/h1,4-7H,2H3
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methyl 6-oxopiperidine-3-carboxylate
Cas Number: 958991-06-5Formula: C7H11NO3Molecular weight: 157.17Synonyms: methyl 6-oxopiperidine-3-carboxylate|958991-06-5|MFCD17016096|Methyl6-oxopiperidine-3-carboxylate|Pi...SMILES: COC(=O)C1CCC(=O)NC1InChIKey: YORUFIOEZHJAEZ-UHFFFAOYSA-NInChI: InChI=1S/C7H11NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h5H,2-4H2,1H3,(H,8,9)
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3-Fluoro-4-hydrazinocarbonylphenylboronic acid
Cas Number: 850568-06-8Formula: C7H8BFN2O3Molecular weight: 198Synonyms: 850568-06-8|3-Fluoro-4-hydrazinocarbonylphenylboronic acid|(3-Fluoro-4-(hydrazinecarbonyl)phenyl)bor...SMILES: B(C1=CC(=C(C=C1)C(=O)NN)F)(O)OInChIKey: HKIPNGLGNVCWCT-UHFFFAOYSA-NInChI: InChI=1S/C7H8BFN2O3/c9-6-3-4(8(13)14)1-2-5(6)7(12)11-10/h1-3,13-14H,10H2,(H,11,12)
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pyrrolidin-3-ylmethanol hydrochloride
Synonyms: DS-13088 | NCGC00015416-06 | pyrrolidin-3-ylmethanol;hydrochloride | SY104034 | J-524157 | HMS3652D0...SMILES: C1CNCC1CO.ClInChIKey: RPSPXNVYBCMWAR-UHFFFAOYSA-NInChI: InChI=1S/C5H11NO.ClH/c7-4-5-1-2-6-3-5;/h5-7H,1-4H2;1H
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2-Bromo-5-iodopyridin-3-amine
Cas Number: 1138444-06-0Formula: C5H4BrIN2Molecular weight: 298.91Synonyms: 2-Bromo-5-iodopyridin-3-amine | 1138444-06-0 | SCHEMBL14303621 | 2-Bromo-5-iodopyridin-3-amine, Aldr...SMILES: C1=C(C=NC(=C1N)Br)IInChIKey: ZOBJZYQEHPMUKG-UHFFFAOYSA-NInChI: InChI=1S/C5H4BrIN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
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3-[[4′-(Trifluoromethoxy)phenoxy]methyl]phenylboronic acid
Cas Number: 849062-06-2Formula: C14H12BF3O4Molecular weight: 312.05Synonyms: 849062-06-2|(3-((4-(TRIFLUOROMETHOXY)PHENOXY)METHYL)PHENYL)BORONIC ACID|3-((4'-(Trifluoromethoxy)phe...SMILES: B(C1=CC(=CC=C1)COC2=CC=C(C=C2)OC(F)(F)F)(O)OInChIKey: ORLMAWFFRKHIFR-UHFFFAOYSA-NInChI: InChI=1S/C14H12BF3O4/c16-14(17,18)22-13-6-4-12(5-7-13)21-9-10-2-1-3-11(8-10)15(19)20/h1-8,19-20H,9H2
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tert-butyl N-[(3-aminooxetan-3-yl)methyl]carbamate
Cas Number: 1379322-06-1 EC Number: 823-975-1Formula: C9H18N2O3Molecular weight: 202.25Synonyms: 3-[(Boc-amino)methyl]oxetan-3-amine | SCHEMBL14690510 | TERT-BUTYL((3-AMINOOXETAN-3-YL)METHYL)CARBAM...SMILES: CC(C)(C)OC(=O)NCC1(COC1)NInChIKey: JJEGJQVVIXYASG-UHFFFAOYSA-NInChI: InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-4-9(10)5-13-6-9/h4-6,10H2,1-3H3,(H,11,12)
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tert-butyl N-[(3-methylpyrrolidin-3-yl)methyl]carbamate hydrochloride
Cas Number: 2173992-06-6Formula: C11H23ClN2O2Molecular weight: 250.77Synonyms: AKOS037644720 | 2173992-06-6 | t-Butyl N-[(3-methylpyrrolidin-3-yl)methyl]carbamate hydrochloride | ...SMILES: CC1(CCNC1)CNC(=O)OC(C)(C)C.ClInChIKey: BEQOVTDTBMZGKE-UHFFFAOYSA-NInChI: InChI=1S/C11H22N2O2.ClH/c1-10(2,3)15-9(14)13-8-11(4)5-6-12-7-11;/h12H,5-8H2,1-4H3,(H,13,14);1H
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tert-butyl N-[2-hydroxy-1-(oxetan-3-yl)ethyl]carbamate
Cas Number: 2306273-06-1Formula: C10H19NO4Molecular weight: 217.26Synonyms: 2306273-06-1 | tert-butyl N-[2-hydroxy-1-(oxetan-3-yl)ethyl]carbamate | tert-Butyl (2-hydroxy-1-(oxe...SMILES: CC(C)(C)OC(=O)NC(CO)C1COC1InChIKey: ZKXUFGLNODMKFB-UHFFFAOYSA-NInChI: InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-8(4-12)7-5-14-6-7/h7-8,12H,4-6H2,1-3H3,(H,11,13)
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3-Hydroxybenzoic acid
Formula: C7H6O3Molecular weight: 138.12Synonyms: 3-Hydroxybenzoic acid|99-06-9|M-HYDROXYBENZOIC ACID|m-Salicylic acid|3-Carboxyphenol|Benzoic acid, 3...SMILES: C1=CC(=CC(=C1)O)C(=O)OInChIKey: IJFXRHURBJZNAO-UHFFFAOYSA-NInChI: InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
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4-Pyridinecarboximidamide Hydrochloride
Cas Number: 42518-06-9Formula: C6H7N3·HClMolecular weight: 157.6Synonyms: Isonicotinimidamide hydrochloride|6345-27-3|42518-06-9|Pyridine-4-carboximidamide Hydrochloride|4-Am...SMILES: C1=CN=CC=C1C(=N)N.ClInChIKey: IONKMFGAXKCLMI-UHFFFAOYSA-NInChI: InChI=1S/C6H7N3.ClH/c7-6(8)5-1-3-9-4-2-5;/h1-4H,(H3,7,8);1H
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