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Benzoic acids
Description:
Organic Compounds containing a benzene ring which bears at least one carboxyl group.
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4-(5-Amino-1，3，4-thiadiazol-2-yl)benzoic acidCas Number: 235109-65-6 Compound CID: 712932Formula: C9H7N3O2S Molecular Weight: 221.24IUPAC Name: 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoic acidSMILES: C1=CC(=CC=C1C2=NN=C(S2)N)C(=O)OInChIKey: LQHNMNCRCCSJQW-UHFFFAOYSA-NInChI: InChI=1S/C9H7N3O2S/c10-9-12-11-7(15-9)5-1-3-6(4-2-5)8(13)14/h1-4H,(H2,10,12)(H,13,14) -
4-((Benzylamino)methyl)benzoic acidCas Number: 190662-37-4 Compound CID: 275548Formula: C15H15NO2 Molecular Weight: 241.29IUPAC Name: 4-[(benzylamino)methyl]benzoic acidSMILES: C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C(=O)OInChIKey: XRCNKDDGDMDMDE-UHFFFAOYSA-NInChI: InChI=1S/C15H15NO2/c17-15(18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H,17,18)
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4-((2-Formylphenoxy)methyl)benzoic acidCas Number: 338994-68-6 Compound CID: 880068Formula: C15H12O4 Molecular Weight: 256.25IUPAC Name: 4-[(2-formylphenoxy)methyl]benzoic acidSMILES: C1=CC=C(C(=C1)C=O)OCC2=CC=C(C=C2)C(=O)OInChIKey: HAMHSPLHZAFUHD-UHFFFAOYSA-NInChI: InChI=1S/C15H12O4/c16-9-13-3-1-2-4-14(13)19-10-11-5-7-12(8-6-11)15(17)18/h1-9H,10H2,(H,17,18)
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4-((1，2，2-Trifluorovinyl)oxy)benzoic acidCas Number: 134151-66-9 Compound CID: 2760803Formula: C9H5F3O3 Molecular Weight: 218.131IUPAC Name: 4-(1,2,2-trifluoroethenoxy)benzoic acidSMILES: C1=CC(=CC=C1C(=O)O)OC(=C(F)F)FInChIKey: RSARXEGXWPNARA-UHFFFAOYSA-NInChI: InChI=1S/C9H5F3O3/c10-7(11)8(12)15-6-3-1-5(2-4-6)9(13)14/h1-4H,(H,13,14)
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4-((Dimethylamino)methyl)benzoic acidCas Number: 18364-71-1 Compound CID: 826319Formula: C10H13NO2 Molecular Weight: 179.22IUPAC Name: 4-[(dimethylamino)methyl]benzoic acidSMILES: CN(C)CC1=CC=C(C=C1)C(=O)OInChIKey: ABFSTRGQQNSRNH-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO2/c1-11(2)7-8-3-5-9(6-4-8)10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
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4-((4-Bromophenoxy)methyl)benzoic acidCas Number: 364623-84-7 Compound CID: 585035Formula: C14H11BrO3 Molecular Weight: 307.143IUPAC Name: 4-[(4-bromophenoxy)methyl]benzoic acidSMILES: C1=CC(=CC=C1COC2=CC=C(C=C2)Br)C(=O)OInChIKey: SBTXPVSBPVKUCV-UHFFFAOYSA-NInChI: InChI=1S/C14H11BrO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
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3-Methylphthalic acidCas Number: 37102-74-2 Compound CID: 35357Formula: C9H8O4 Molecular Weight: 180.16IUPAC Name: 3-methylphthalic acidSMILES: CC1=C(C(=CC=C1)C(=O)O)C(=O)OInChIKey: IBFJDBNISOJRCW-UHFFFAOYSA-NInChI: InChI=1S/C9H8O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
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3-Ethylbenzoic acidCas Number: 619-20-5 Compound CID: 96207Formula: C9H10O2 Molecular Weight: 150.17IUPAC Name: 3-ethylbenzoic acidSMILES: CCC1=CC(=CC=C1)C(=O)OInChIKey: HXUSUAKIRZZMGP-UHFFFAOYSA-NInChI: InChI=1S/C9H10O2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
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3-Cyclopropylbenzoic acidCas Number: 1129-06-2 Compound CID: 282065Formula: C10H10O2 Molecular Weight: 162.19IUPAC Name: 3-cyclopropylbenzoic acidSMILES: C1CC1C2=CC(=CC=C2)C(=O)OInChIKey: RQRAQQYDNSRVRK-UHFFFAOYSA-NInChI: InChI=1S/C10H10O2/c11-10(12)9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,11,12)
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2，5-Dichloro-3-fluorobenzoic acidCas Number: 501008-42-0 Compound CID: 302687Formula: C7H3Cl2FO2 Molecular Weight: 209IUPAC Name: 2,5-dichloro-3-fluorobenzoic acidSMILES: C1=C(C=C(C(=C1C(=O)O)Cl)F)ClInChIKey: ZVYNMBUXCNVMSC-UHFFFAOYSA-NInChI: InChI=1S/C7H3Cl2FO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,(H,11,12)
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2-Formamidobenzoic acidCas Number: 3342-77-6 Compound CID: 101399Formula: C8H7NO3 Molecular Weight: 165.15IUPAC Name: 2-formamidobenzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)NC=OInChIKey: LLLPDUXGHXIXIW-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)Synonyms: 2-(Formylamino)benzoic acid
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4-[(4-Bromo-1H-pyrazol-1-yl)methyl]benzoic acidCas Number: 387344-96-9 Compound CID: 585637Formula: C11H9BrN2O2 Molecular Weight: 281.12IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]benzoic acidSMILES: C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)OInChIKey: XEVVSARAJARMBB-UHFFFAOYSA-NInChI: InChI=1S/C11H9BrN2O2/c12-10-5-13-14(7-10)6-8-1-3-9(4-2-8)11(15)16/h1-5,7H,6H2,(H,15,16)
