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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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2-chloro-3-methyl-4-(methylsulfonyl)benzoic acidCas Number: 106904-09-0 Compound CID: 14254476Formula: C9H9ClO4S Molecular Weight: 248.68IUPAC Name: 2-chloro-3-methyl-4-methylsulfonylbenzoic acidSMILES: CC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)CInChIKey: RRFGGUXLGOVPOP-UHFFFAOYSA-NInChI: InChI=1S/C9H9ClO4S/c1-5-7(15(2,13)14)4-3-6(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12) -
2-bromo-4，6-difluorobenzoic acidCas Number: 651026-99-2 Compound CID: 11149079Formula: C7H3BrF2O2 Molecular Weight: 237IUPAC Name: 2-bromo-4,6-difluorobenzoic acidSMILES: C1=C(C=C(C(=C1F)C(=O)O)Br)FInChIKey: GKYHVDQTGWPNBP-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrF2O2/c8-4-1-3(9)2-5(10)6(4)7(11)12/h1-2H,(H,11,12)
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2-Fluoro-N-methoxy-N-methylbenzamideFormula: C9H10FNO2 Molecular Weight: 183.18IUPAC Name: 2-fluoro-N-methoxy-N-methylbenzamideSMILES: CN(C(=O)C1=CC=CC=C1F)OCInChIKey: WWEPCBKULBKDCS-UHFFFAOYSA-NInChI: InChI=1S/C9H10FNO2/c1-11(13-2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
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2-Fluoro-N-methyl-4-nitrobenzamideCas Number: 915087-24-0 Compound CID: 53440632Formula: C8H7FN2O3 Molecular Weight: 198.15IUPAC Name: 2-fluoro-N-methyl-4-nitrobenzamideSMILES: CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])FInChIKey: CWGRZEVFBBAKCD-UHFFFAOYSA-NInChI: InChI=1S/C8H7FN2O3/c1-10-8(12)6-3-2-5(11(13)14)4-7(6)9/h2-4H,1H3,(H,10,12)
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2-Fluoro-4-formylbenzoic acidCas Number: 604000-97-7 Compound CID: 18441958Formula: C8H5FO3 Molecular Weight: 168.12IUPAC Name: 2-fluoro-4-formylbenzoic acidSMILES: C1=CC(=C(C=C1C=O)F)C(=O)OInChIKey: MBTIUAFUJPATDP-UHFFFAOYSA-NInChI: InChI=1S/C8H5FO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4H,(H,11,12)
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2-Fluoro-3-formylbenzoic acidCas Number: 1289043-16-8 Compound CID: 74892427Formula: C8H5FO3 Molecular Weight: 168.12IUPAC Name: 2-fluoro-3-formylbenzoic acidSMILES: C1=CC(=C(C(=C1)C(=O)O)F)C=OInChIKey: YJTYMNFESVPEKM-UHFFFAOYSA-NInChI: InChI=1S/C8H5FO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4H,(H,11,12)
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2-Chloro-N-methoxy-N-methylbenzamideCas Number: 289686-74-4 Compound CID: 18185370Formula: C9H10ClNO2 Molecular Weight: 199.63IUPAC Name: 2-chloro-N-methoxy-N-methylbenzamideSMILES: CN(C(=O)C1=CC=CC=C1Cl)OCInChIKey: ZBRUSXSYQDZHQM-UHFFFAOYSA-NInChI: InChI=1S/C9H10ClNO2/c1-11(13-2)9(12)7-5-3-4-6-8(7)10/h3-6H,1-2H3
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2-Chloro-4-cyano-6-fluorobenzoic acidCas Number: 1258298-29-1 Compound CID: 66801412Formula: C8H3ClFNO2 Molecular Weight: 199.57IUPAC Name: 2-chloro-4-cyano-6-fluorobenzoic acidSMILES: C1=C(C=C(C(=C1F)C(=O)O)Cl)C#NInChIKey: WWFWDVYYRPLSKP-UHFFFAOYSA-NInChI: InChI=1S/C8H3ClFNO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
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2-Chloro-4-NitrobenzohydrazideCas Number: 67345-78-2 Compound CID: 3685650Formula: C7H6ClN3O3 Molecular Weight: 215.6IUPAC Name: 2-chloro-4-nitrobenzohydrazideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)NNInChIKey: XLDHQBNLMQYVBC-UHFFFAOYSA-NInChI: InChI=1S/C7H6ClN3O3/c8-6-3-4(11(13)14)1-2-5(6)7(12)10-9/h1-3H,9H2,(H,10,12)
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2-Bromo-6-iodobenzoic acidCas Number: 1022128-96-6 Compound CID: 53424376Formula: C7H4BrIO2 Molecular Weight: 326.91IUPAC Name: 2-bromo-6-iodobenzoic acidSMILES: C1=CC(=C(C(=C1)I)C(=O)O)BrInChIKey: PTQGEYMPMWQTDM-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
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2-Bromo-5-fluoro-4-methylbenzoic acidCas Number: 1003709-54-3 Compound CID: 45073548Formula: C8H6BrFO2 Molecular Weight: 233.04IUPAC Name: 2-bromo-5-fluoro-4-methylbenzoic acidSMILES: CC1=CC(=C(C=C1F)C(=O)O)BrInChIKey: WFPYJWBPQCXYCJ-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrFO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
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2-Bromo-5-fluoro-N，N-dimethylbenzamideCas Number: 951884-08-5 Compound CID: 24709084Formula: C9H9BrFNO Molecular Weight: 246.08IUPAC Name: 2-bromo-5-fluoro-N,N-dimethylbenzamideSMILES: CN(C)C(=O)C1=C(C=CC(=C1)F)BrInChIKey: DJIURYDAGNDRMF-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-5-6(11)3-4-8(7)10/h3-5H,1-2H3
