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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-cyclopropyl-2-fluorobenzamideCas Number: 877383-84-1 Compound CID: 9080038Formula: C10H9BrFNO Molecular Weight: 258.09IUPAC Name: 4-bromo-N-cyclopropyl-2-fluorobenzamideSMILES: C1CC1NC(=O)C2=C(C=C(C=C2)Br)FInChIKey: CGOQTUADHAVJLX-UHFFFAOYSA-NInChI: InChI=1S/C10H9BrFNO/c11-6-1-4-8(9(12)5-6)10(14)13-7-2-3-7/h1,4-5,7H,2-3H2,(H,13,14) -
4-Bromo-3-fluoro-N-methoxy-N-methyl-benzamideCas Number: 343564-56-7 Compound CID: 22313823IUPAC Name: 4-bromo-3-fluoro-N-methoxy-N-methylbenzamideSMILES: CN(C(=O)C1=CC(=C(C=C1)Br)F)OCInChIKey: SLYYEMJPXWFKDE-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrFNO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
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4-Bromo-3-fluorobenzamideCas Number: 759427-20-8 Compound CID: 21904775Formula: C7H5BrFNO Molecular Weight: 218.02IUPAC Name: 4-bromo-3-fluorobenzamideSMILES: C1=CC(=C(C=C1C(=O)N)F)BrInChIKey: VKCJLZDBTNZHSV-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrFNO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
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4-Bromo-3-chloro-2-fluorobenzoic acidCas Number: 194804-94-9 Compound CID: 19358369Formula: C7H3BrClFO2 Molecular Weight: 253.46IUPAC Name: 4-bromo-3-chloro-2-fluorobenzoic acidSMILES: C1=CC(=C(C(=C1C(=O)O)F)Cl)BrInChIKey: KPMQBAAFCDKHGV-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrClFO2/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2H,(H,11,12)
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3，4，6-Trifluoro-2-methylbenzoic AcidCas Number: 119916-22-2 Compound CID: 10130305IUPAC Name: 3,4,6-trifluoro-2-methylbenzoic acidSMILES: CC1=C(C(=CC(=C1F)F)F)C(=O)OInChIKey: ZWSKKNZVRSHNGN-UHFFFAOYSA-NInChI: InChI=1S/C8H5F3O2/c1-3-6(8(12)13)4(9)2-5(10)7(3)11/h2H,1H3,(H,12,13)
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3，4-DIFLUORO-N-METHOXY-N-METHYLBENZAMIDECas Number: 188345-25-7 Compound CID: 18969734IUPAC Name: 3,4-difluoro-N-methoxy-N-methylbenzamideSMILES: CN(C(=O)C1=CC(=C(C=C1)F)F)OCInChIKey: FDVLMFYILRWQOV-UHFFFAOYSA-NInChI: InChI=1S/C9H9F2NO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
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3-Fluoro-4-methyl-5-iodobenzoicacidCas Number: 861905-94-4 Compound CID: 44479445Formula: C8H6FIO2 Molecular Weight: 280.04IUPAC Name: 3-fluoro-5-iodo-4-methylbenzoic acidSMILES: CC1=C(C=C(C=C1I)C(=O)O)FInChIKey: PODTVAOVOKWNDI-UHFFFAOYSA-NInChI: InChI=1S/C8H6FIO2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
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3-Fluoro-4-(pyrrolidine-1-carbonyl)phenylboronic acidCas Number: 874289-09-5 Compound CID: 44717469Formula: C11H13BFNO3 Molecular Weight: 237.04IUPAC Name: [3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]boronic acidSMILES: B(C1=CC(=C(C=C1)C(=O)N2CCCC2)F)(O)OInChIKey: CAXRHKUORHQHNG-UHFFFAOYSA-NInChI: InChI=1S/C11H13BFNO3/c13-10-7-8(12(16)17)3-4-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
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3-Fluoro-4-(methylsulfonyl)benzoic AcidCas Number: 185945-88-4 Compound CID: 26598073Formula: C8H7FO4S Molecular Weight: 218.2IUPAC Name: 3-fluoro-4-methylsulfonylbenzoic acidSMILES: CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)FInChIKey: QJHFDGZWRWQZCR-UHFFFAOYSA-NInChI: InChI=1S/C8H7FO4S/c1-14(12,13)7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
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3-Fluoro-2-methylbenzamideCas Number: 886502-05-2 Compound CID: 17750718Formula: C8H8FNO Molecular Weight: 153.15IUPAC Name: 3-fluoro-2-methylbenzamideSMILES: CC1=C(C=CC=C1F)C(=O)NInChIKey: YWOKYZJJNQBVFT-UHFFFAOYSA-NInChI: InChI=1S/C8H8FNO/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H2,10,11)
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3-Fluoro-4-(Hydroxymethyl)Benzoic AcidCas Number: 214554-16-2 Compound CID: 10130161Formula: C8H7FO3 Molecular Weight: 170.14IUPAC Name: 3-fluoro-4-(hydroxymethyl)benzoic acidSMILES: C1=CC(=C(C=C1C(=O)O)F)COInChIKey: HPVLUHTXWWJJHM-UHFFFAOYSA-NInChI: InChI=1S/C8H7FO3/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3,10H,4H2,(H,11,12)
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3-Ethoxy-2-fluorobenzoic acidCas Number: 1033201-71-6 Compound CID: 46738819Formula: C9H9FO3 Molecular Weight: 184.16IUPAC Name: 3-ethoxy-2-fluorobenzoic acidSMILES: CCOC1=CC=CC(=C1F)C(=O)OInChIKey: CQWCJEMORPCATH-UHFFFAOYSA-NInChI: InChI=1S/C9H9FO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5H,2H2,1H3,(H,11,12)
