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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-5-fluorobenzoyl chlorideCas Number: 886496-62-4 Compound CID: 3849155Formula: C7H3Cl2FO Molecular Weight: 193IUPAC Name: 3-chloro-5-fluorobenzoyl chlorideSMILES: C1=C(C=C(C=C1F)Cl)C(=O)ClInChIKey: CQQPZYVMGWYJOO-UHFFFAOYSA-NInChI: InChI=1S/C7H3Cl2FO/c8-5-1-4(7(9)11)2-6(10)3-5/h1-3H -
2，4，5-TrifluorobenzamideCas Number: 98349-23-6 Compound CID: 2776958Formula: C7H4F3NO Molecular Weight: 175.11IUPAC Name: 2,4,5-trifluorobenzamideSMILES: C1=C(C(=CC(=C1F)F)F)C(=O)NInChIKey: YQRPJVUZSKXCJN-UHFFFAOYSA-NInChI: InChI=1S/C7H4F3NO/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H2,11,12)
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2，4，5-Trichlorobenzoic acidCas Number: 50-82-8 Compound CID: 5786Formula: C7H3Cl3O2 Molecular Weight: 225.46IUPAC Name: 2,4,5-trichlorobenzoic acidSMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)OInChIKey: PTFNNDHASFGWFI-UHFFFAOYSA-NInChI: InChI=1S/C7H3Cl3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
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2-Iodylbenzoic AcidFormula: C7H5IO4 Molecular Weight: 280.02IUPAC Name: 2-iodylbenzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)I(=O)=OInChIKey: FIYYMXYOBLWYQO-UHFFFAOYSA-NInChI: InChI=1S/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
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2-Chloro-5-fluorobenzamideCas Number: 88487-25-6 Compound CID: 2773590Formula: C7H5NOFCl Molecular Weight: 173.57IUPAC Name: 2-chloro-5-fluorobenzamideSMILES: C1=CC(=C(C=C1F)C(=O)N)ClInChIKey: UKUUZRYASPJJOI-UHFFFAOYSA-NInChI: InChI=1S/C7H5ClFNO/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H2,10,11)
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2-Chloro-6-fluoro-3-methylbenzoic acidCas Number: 32890-89-4 Compound CID: 2773668Formula: C8H6ClFO2 Molecular Weight: 188.59IUPAC Name: 2-chloro-6-fluoro-3-methylbenzoic acidSMILES: CC1=C(C(=C(C=C1)F)C(=O)O)ClInChIKey: VCNCNVOMGXWTBZ-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,1H3,(H,11,12)Synonyms: 2-Chloro-6-fluoro-3-methylbenzoic acid | MFCD01631359 | 2-chloro-6-fluoro-3-methyl-benzoic Acid | SCHEMBL2430970 | AM...
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N，N-Diethyl-4-iodobenzamideCas Number: 77350-52-8 Compound CID: 875218Formula: C11H14INO Molecular Weight: 303.14IUPAC Name: N,N-diethyl-4-iodobenzamideSMILES: CCN(CC)C(=O)C1=CC=C(C=C1)IInChIKey: GHOMPHXKTJFWCV-UHFFFAOYSA-NInChI: InChI=1S/C11H14INO/c1-3-13(4-2)11(14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
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N-[3-(1-Imidazolyl)propyl]-2，4-dichlorobenzamideCas Number: 349092-52-0 Compound CID: 3534220Formula: C13H13Cl2N3O Molecular Weight: 298.16IUPAC Name: 2,4-dichloro-N-(3-imidazol-1-ylpropyl)benzamideSMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)NCCCN2C=CN=C2InChIKey: GUTLIVUMYAQCOK-UHFFFAOYSA-NInChI: InChI=1S/C13H13Cl2N3O/c14-10-2-3-11(12(15)8-10)13(19)17-4-1-6-18-7-5-16-9-18/h2-3,5,7-9H,1,4,6H2,(H,17,19)
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6-Chloro-2-fluoro-3-methylbenzoic acidCas Number: 32890-90-7 Compound CID: 2773669Formula: C8H6ClFO2 Molecular Weight: 188.59IUPAC Name: 6-chloro-2-fluoro-3-methylbenzoic acidSMILES: CC1=C(C(=C(C=C1)Cl)C(=O)O)FInChIKey: HLQCBMOWEQKVBL-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
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6-Bromo-2-fluoro-3-methylbenzoicacidCas Number: 743466-98-0 Compound CID: 58687491Formula: C8H6O2FBr Molecular Weight: 233.03IUPAC Name: 6-bromo-2-fluoro-3-methylbenzoic acidSMILES: CC1=C(C(=C(C=C1)Br)C(=O)O)FInChIKey: QNGVPYFPKLUQDX-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
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5-Fluoro-3-iodobenzoic acidCas Number: 723294-74-4 Compound CID: 2758987Formula: C7H4FIO2 Molecular Weight: 266.01IUPAC Name: 3-fluoro-5-iodobenzoic acidSMILES: C1=C(C=C(C=C1F)I)C(=O)OInChIKey: GYWJTQMNTRDRNA-UHFFFAOYSA-NInChI: InChI=1S/C7H4FIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
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5-Fluoro-2-(methylsulfonyl)benzoicacidCas Number: 773873-55-5 Compound CID: 2782735Formula: C8H7FO4S Molecular Weight: 218.2IUPAC Name: 5-fluoro-2-methylsulfonylbenzoic acidSMILES: CS(=O)(=O)C1=C(C=C(C=C1)F)C(=O)OInChIKey: UYODNSHQTPLEAS-UHFFFAOYSA-NInChI: InChI=1S/C8H7FO4S/c1-14(12,13)7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
