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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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3-Chloro-2，4，5，6-tetrafluorobenzoic acidCas Number: 5360-81-6 Compound CID: 2773835Formula: C7HClF4O2 Molecular Weight: 228.53IUPAC Name: 3-chloro-2,4,5,6-tetrafluorobenzoic acidSMILES: C1(=C(C(=C(C(=C1F)Cl)F)F)F)C(=O)OInChIKey: FYAPWZAOGRABCC-UHFFFAOYSA-NInChI: InChI=1S/C7HClF4O2/c8-2-3(9)1(7(13)14)4(10)6(12)5(2)11/h(H,13,14) -
3-Chloro-2-fluorobenzamideCas Number: 104326-94-5 Compound CID: 517842Formula: C7H5ClFNO Molecular Weight: 173.58IUPAC Name: 3-chloro-2-fluorobenzamideSMILES: C1=CC(=C(C(=C1)Cl)F)C(=O)NInChIKey: KGTCFPJGIYHDRZ-UHFFFAOYSA-NInChI: InChI=1S/C7H5ClFNO/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)
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3-Bromo-N-cyclopropylbenzamideCas Number: 337535-74-7 Compound CID: 896152Formula: C10H10BrNO Molecular Weight: 240.1IUPAC Name: 3-bromo-N-cyclopropylbenzamideSMILES: C1CC1NC(=O)C2=CC(=CC=C2)BrInChIKey: TZOROVSHSRTGHY-UHFFFAOYSA-NInChI: InChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5H2,(H,12,13)
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3-Bromo-5-fluorobenzoyl chlorideCas Number: 887266-90-2 Compound CID: 2783345Formula: C7H3OFClBr Molecular Weight: 237.45IUPAC Name: 3-bromo-5-fluorobenzoyl chlorideSMILES: C1=C(C=C(C=C1F)Br)C(=O)ClInChIKey: RGMMCYNLNAUIJX-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrClFO/c8-5-1-4(7(9)11)2-6(10)3-5/h1-3H
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3-Bromo-4-methylbenzamideCas Number: 183723-09-3 Compound CID: 681061Formula: C8H8NOBr Molecular Weight: 214.05IUPAC Name: 3-bromo-4-methylbenzamideSMILES: CC1=C(C=C(C=C1)C(=O)N)BrInChIKey: HAUIONXDUJDQSK-UHFFFAOYSA-NInChI: InChI=1S/C8H8BrNO/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H2,10,11)
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3-Bromo-2，4，5-trifluorobenzoic acidCas Number: 104222-42-6 Compound CID: 2783246Formula: C7H2BrF3O2 Molecular Weight: 254.99IUPAC Name: 3-bromo-2,4,5-trifluorobenzoic acidSMILES: C1=C(C(=C(C(=C1F)F)Br)F)C(=O)OInChIKey: VWVLSESGZBAPHA-UHFFFAOYSA-NInChI: InChI=1S/C7H2BrF3O2/c8-4-5(10)2(7(12)13)1-3(9)6(4)11/h1H,(H,12,13)
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3-Bromo-4-(tert-butyl)benzoic acidCas Number: 38473-89-1 Compound CID: 282992Formula: C11H13BrO2 Molecular Weight: 257.12IUPAC Name: 3-bromo-4-tert-butylbenzoic acidSMILES: CC(C)(C)C1=C(C=C(C=C1)C(=O)O)BrInChIKey: SHBYNNKZVBDWRW-UHFFFAOYSA-NInChI: InChI=1S/C11H13BrO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)
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3-Bromo-2-MethylbenzaMideCas Number: 919363-09-0 Compound CID: 58828877Formula: 8H8BrNOIUPAC Name: 3-bromo-2-methylbenzamideSMILES: CC1=C(C=CC=C1Br)C(=O)NInChIKey: OADZVXZARJCFMF-UHFFFAOYSA-NInChI: InChI=1S/C8H8BrNO/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H2,10,11)
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2，6-Difluoro-4-ethoxybenzoic acidCas Number: 916483-56-2 Compound CID: 57361345Formula: C9H8F2O3 Molecular Weight: 202.15IUPAC Name: 4-ethoxy-2,6-difluorobenzoic acidSMILES: CCOC1=CC(=C(C(=C1)F)C(=O)O)FInChIKey: CRVNWKFFDWXCGB-UHFFFAOYSA-NInChI: InChI=1S/C9H8F2O3/c1-2-14-5-3-6(10)8(9(12)13)7(11)4-5/h3-4H,2H2,1H3,(H,12,13)
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2,5-DichlorobenzohydrazideCas Number: 67487-35-8 Compound CID: 144246Formula: C7H6Cl2N2O Molecular Weight: 205.05IUPAC Name: 2,5-dichlorobenzohydrazideSMILES: C1=CC(=C(C=C1Cl)C(=O)NN)ClInChIKey: XECBCXNWGBDIMG-UHFFFAOYSA-NInChI: InChI=1S/C7H6Cl2N2O/c8-4-1-2-6(9)5(3-4)7(12)11-10/h1-3H,10H2,(H,11,12)Synonyms: 2,5-Dichlorobenzhydrazide
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2，4-Dibromo-3-(difluoromethoxy)benzoic acidCas Number: 223595-28-6 Compound CID: 2782772Formula: C8H4Br2F2O3 Molecular Weight: 345.92IUPAC Name: 2,4-dibromo-3-(difluoromethoxy)benzoic acidSMILES: C1=CC(=C(C(=C1C(=O)O)Br)OC(F)F)BrInChIKey: MYABBCIHLRGMEC-UHFFFAOYSA-NInChI: InChI=1S/C8H4Br2F2O3/c9-4-2-1-3(7(13)14)5(10)6(4)15-8(11)12/h1-2,8H,(H,13,14)
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2，4-Dibromo-3-(difluoromethoxy)benzoic acidCas Number: 223595-28-6 Compound CID: 2782772Formula: C8H4Br2F2O3 Molecular Weight: 345.92IUPAC Name: 2,4-dibromo-3-(difluoromethoxy)benzoic acidSMILES: C1=CC(=C(C(=C1C(=O)O)Br)OC(F)F)BrInChIKey: MYABBCIHLRGMEC-UHFFFAOYSA-NInChI: InChI=1S/C8H4Br2F2O3/c9-4-2-1-3(7(13)14)5(10)6(4)15-8(11)12/h1-2,8H,(H,13,14)
