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Halobenzoic acids and derivatives
Description:
Benzoic acids or derivatives carrying a halogen atom on the benzene ring.
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1-(4-bromobenzoyl)-4-methylpiperazineCas Number: 349395-87-5 Compound CID: 4464352Formula: C12H15BrN2O Molecular Weight: 283.169IUPAC Name: (4-bromophenyl)-(4-methylpiperazin-1-yl)methanoneSMILES: CN1CCN(CC1)C(=O)C2=CC=C(C=C2)BrInChIKey: JNOKTDFRPPBDGI-UHFFFAOYSA-NInChI: InChI=1S/C12H15BrN2O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3 -
tert-Butyl 2-(2，5-difluorobenzoyl)hydrazinecarboxylateCas Number: 1079843-62-1 Compound CID: 66806144Formula: C12H14F2N2O3 Molecular Weight: 272.25IUPAC Name: tert-butyl N-[(2,5-difluorobenzoyl)amino]carbamateSMILES: CC(C)(C)OC(=O)NNC(=O)C1=C(C=CC(=C1)F)FInChIKey: PAPCXRVVAHZZHH-UHFFFAOYSA-NInChI: InChI=1S/C12H14F2N2O3/c1-12(2,3)19-11(18)16-15-10(17)8-6-7(13)4-5-9(8)14/h4-6H,1-3H3,(H,15,17)(H,16,18)
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Sodium 2，4-difluorobenzoateFormula: C7H3F2NaO2 Molecular Weight: 180.08IUPAC Name: sodium;2,4-difluorobenzoateSMILES: C1=CC(=C(C=C1F)F)C(=O)[O-].[Na+]InChIKey: ZNMYMPIKSTUKOB-UHFFFAOYSA-MInChI: InChI=1S/C7H4F2O2.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,(H,10,11);/q;+1/p-1
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Sodium 2，3，4-trifluorobenzoateCas Number: 402955-41-3 Compound CID: 44717241Formula: C7H2F3NaO2 Molecular Weight: 198.08IUPAC Name: sodium;2,3,4-trifluorobenzoateSMILES: C1=CC(=C(C(=C1C(=O)[O-])F)F)F.[Na+]InChIKey: NZIOVCZZRCWAHP-UHFFFAOYSA-MInChI: InChI=1S/C7H3F3O2.Na/c8-4-2-1-3(7(11)12)5(9)6(4)10;/h1-2H,(H,11,12);/q;+1/p-1
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Methyl 5-amino-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylateCas Number: 918321-20-7 Compound CID: 59365496Formula: C10H10FN3O2 Molecular Weight: 223.21IUPAC Name: methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylateSMILES: CN1C=NC2=C1C=C(C(=C2F)N)C(=O)OCInChIKey: LDEVURKKVDBRLD-UHFFFAOYSA-NInChI: InChI=1S/C10H10FN3O2/c1-14-4-13-9-6(14)3-5(10(15)16-2)8(12)7(9)11/h3-4H,12H2,1-2H3
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Methyl 5-bromo-1H-indazole-4-carboxylateCas Number: 1037840-79-1 Compound CID: 59145907Formula: C9H7N2O2Br Molecular Weight: 255.06IUPAC Name: methyl 5-bromo-1H-indazole-4-carboxylateSMILES: COC(=O)C1=C(C=CC2=C1C=NN2)BrInChIKey: ZVKNYIAOEMIAKP-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)8-5-4-11-12-7(5)3-2-6(8)10/h2-4H,1H3,(H,11,12)
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(3-Bromo-4-fluorophenyl)(morpholino)methanoneCas Number: 1007207-89-7 Compound CID: 46738891Formula: C11H11BrFNO2 Molecular Weight: 288.11IUPAC Name: (3-bromo-4-fluorophenyl)-morpholin-4-ylmethanoneSMILES: C1COCCN1C(=O)C2=CC(=C(C=C2)F)BrInChIKey: LQLSTTTUFUYAMF-UHFFFAOYSA-NInChI: InChI=1S/C11H11BrFNO2/c12-9-7-8(1-2-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
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6-Chloro-1H-indazole-4-carboxylic acidCas Number: 885522-12-3 Compound CID: 24728359Formula: C8H5ClN2O2 Molecular Weight: 196.59IUPAC Name: 6-chloro-1H-indazole-4-carboxylic acidSMILES: C1=C(C=C2C(=C1C(=O)O)C=NN2)ClInChIKey: ZGMHPRZUHXSOTF-UHFFFAOYSA-NInChI: InChI=1S/C8H5ClN2O2/c9-4-1-5(8(12)13)6-3-10-11-7(6)2-4/h1-3H,(H,10,11)(H,12,13)
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5-iodo-2，4-diMethylbenzoic acidCas Number: 742081-03-4 Compound CID: 23091875Formula: C9H9IO2 Molecular Weight: 276.073IUPAC Name: 5-iodo-2,4-dimethylbenzoic acidSMILES: CC1=CC(=C(C=C1C(=O)O)I)CInChIKey: VBULVYTZMDVWSK-UHFFFAOYSA-NInChI: InChI=1S/C9H9IO2/c1-5-3-6(2)8(10)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
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5-chloro-2-ethoxybenzoic acidCas Number: 62871-12-9 Compound CID: 5098570Formula: C9H9ClO3 Molecular Weight: 200.62IUPAC Name: 5-chloro-2-ethoxybenzoic acidSMILES: CCOC1=C(C=C(C=C1)Cl)C(=O)OInChIKey: IVXINMFQXFEZGO-UHFFFAOYSA-NInChI: InChI=1S/C9H9ClO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)
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5-bromo-2-iodobenzamideCas Number: 289039-20-9 Compound CID: 40428781Formula: C7H5BrINO Molecular Weight: 325.94IUPAC Name: 5-bromo-2-iodobenzamideSMILES: C1=CC(=C(C=C1Br)C(=O)N)IInChIKey: PSQDNPRLSXTGEU-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrINO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
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(2-Fluoro-5-(propylcarbamoyl)phenyl)boronic acidCas Number: 874289-48-2 Compound CID: 44717466Formula: C10H13BFNO3 Molecular Weight: 225.03IUPAC Name: [2-fluoro-5-(propylcarbamoyl)phenyl]boronic acidSMILES: B(C1=C(C=CC(=C1)C(=O)NCCC)F)(O)OInChIKey: UTFWGDUSGXDUNF-UHFFFAOYSA-NInChI: InChI=1S/C10H13BFNO3/c1-2-5-13-10(14)7-3-4-9(12)8(6-7)11(15)16/h3-4,6,15-16H,2,5H2,1H3,(H,13,14)
