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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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4-Bromo-N-(5-chloro-2-pyridyl)benzamideCas Number: 300670-29-5 Compound CID: 603892Formula: C12H8BrClN2O Molecular Weight: 311.56IUPAC Name: 4-bromo-N-(5-chloropyridin-2-yl)benzamideSMILES: C1=CC(=CC=C1C(=O)NC2=NC=C(C=C2)Cl)BrInChIKey: LJGMQDMQXJTEGM-UHFFFAOYSA-NInChI: InChI=1S/C12H8BrClN2O/c13-9-3-1-8(2-4-9)12(17)16-11-6-5-10(14)7-15-11/h1-7H,(H,15,16,17) -
4-Bromo-2，5-dimethylbenzoic acidCas Number: 276677-03-3 Compound CID: 2753479Formula: C9H9BrO2 Molecular Weight: 229.073IUPAC Name: 4-bromo-2,5-dimethylbenzoic acidSMILES: CC1=CC(=C(C=C1Br)C)C(=O)OInChIKey: PYZYBJKFYYDWPH-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrO2/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
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4-Bromo-2-chloro-6-methylbenzoic acidCas Number: 877149-07-0 Compound CID: 56604246IUPAC Name: 4-bromo-2-chloro-6-methylbenzoic acidSMILES: CC1=CC(=CC(=C1C(=O)O)Cl)BrInChIKey: ORIIFCWVWHSUIN-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrClO2/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
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3，5-Difluoro-4-methylbenzoicacidCas Number: 103877-76-5 Compound CID: 10888371IUPAC Name: 3,5-difluoro-4-methylbenzoic acidSMILES: CC1=C(C=C(C=C1F)C(=O)O)FInChIKey: DGTRDHAJCIKUSV-UHFFFAOYSA-NInChI: InChI=1S/C8H6F2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
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3,5-DichlorobenzohydrazideCas Number: 62899-78-9 Compound CID: 2735966Formula: C7H6Cl2N2O Molecular Weight: 205.04IUPAC Name: 3,5-dichlorobenzohydrazideSMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)NNInChIKey: DNISXKBKTSHNKL-UHFFFAOYSA-NInChI: InChI=1S/C7H6Cl2N2O/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,10H2,(H,11,12)Synonyms: 3,5-Dichlorobenzohydrazide
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3，5-Difluoro-4-isopropoxybenzoic acidCas Number: 1344109-54-1 Compound CID: 63183706IUPAC Name: 3,5-difluoro-4-propan-2-yloxybenzoic acidSMILES: CC(C)OC1=C(C=C(C=C1F)C(=O)O)FInChIKey: SEOBUACMSAPVJE-UHFFFAOYSA-NInChI: InChI=1S/C10H10F2O3/c1-5(2)15-9-7(11)3-6(10(13)14)4-8(9)12/h3-5H,1-2H3,(H,13,14)
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3，5-Dibromo-2-chlorobenzoic acidCas Number: 27003-05-0 Compound CID: 302960Formula: C7H3Br2ClO2 Molecular Weight: 314.37IUPAC Name: 3,5-dibromo-2-chlorobenzoic acidSMILES: C1=C(C=C(C(=C1C(=O)O)Cl)Br)BrInChIKey: AXIYETPARSBPQM-UHFFFAOYSA-NInChI: InChI=1S/C7H3Br2ClO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
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3-Iodo-N-methylbenzamideCas Number: 90434-01-8 Compound CID: 3384366Formula: C8H8INO Molecular Weight: 261.06IUPAC Name: 3-iodo-N-methylbenzamideSMILES: CNC(=O)C1=CC(=CC=C1)IInChIKey: CJOMJVXNBHDPFJ-UHFFFAOYSA-NInChI: InChI=1S/C8H8INO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11)
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3-Iodophthalic acidCas Number: 6937-34-4 Compound CID: 238231Formula: C8H5IO4 Molecular Weight: 292.03IUPAC Name: 3-iodophthalic acidSMILES: C1=CC(=C(C(=C1)I)C(=O)O)C(=O)OInChIKey: HNPVERUJGFNNRV-UHFFFAOYSA-NInChI: InChI=1S/C8H5IO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
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3-Fluoro-4-isopropoxybenzoicacidCas Number: 258273-30-2 Compound CID: 17902884IUPAC Name: 3-fluoro-4-propan-2-yloxybenzoic acidSMILES: CC(C)OC1=C(C=C(C=C1)C(=O)O)FInChIKey: AFUBNDBLNISVBB-UHFFFAOYSA-NInChI: InChI=1S/C10H11FO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6H,1-2H3,(H,12,13)
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3-Chloro-4-formylbenzoic acidCas Number: 58588-59-3 Compound CID: 12290536Formula: C8H5ClO3 Molecular Weight: 184.58IUPAC Name: 3-chloro-4-formylbenzoic acidSMILES: C1=CC(=C(C=C1C(=O)O)Cl)C=OInChIKey: STTXUSSNIZOQGV-UHFFFAOYSA-NInChI: InChI=1S/C8H5ClO3/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-4H,(H,11,12)
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3-Chloro-2，6-difluorobenzamideCas Number: 261762-41-8 Compound CID: 2773517Formula: C7H4NOF2Cl Molecular Weight: 191.56IUPAC Name: 3-chloro-2,6-difluorobenzamideSMILES: C1=CC(=C(C(=C1F)C(=O)N)F)ClInChIKey: TUTOELHQVJTZTO-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClF2NO/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,(H2,11,12)
