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M-phthalic acid and derivatives
Description:
Aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
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5-Ethoxyisophthalic acidCas Number: 203626-61-3 Compound CID: 45094206Formula: C10H10O5 Molecular Weight: 210.18IUPAC Name: 5-ethoxybenzene-1,3-dicarboxylic acidSMILES: CCOC1=CC(=CC(=C1)C(=O)O)C(=O)OInChIKey: WQONHTZYNXJZIC-UHFFFAOYSA-NInChI: InChI=1S/C10H10O5/c1-2-15-8-4-6(9(11)12)3-7(5-8)10(13)14/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
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5-(TrifluoroMethyl)benzene-1,3-dicarboxylic acidCas Number: 117186-03-5 Compound CID: 22140230Formula: C9H5F3O4 Molecular Weight: 234.13IUPAC Name: 5-(trifluoromethyl)benzene-1,3-dicarboxylic acidSMILES: C1=C(C=C(C=C1C(=O)O)C(F)(F)F)C(=O)OInChIKey: MFRAUNNXQCRKQI-UHFFFAOYSA-NInChI: InChI=1S/C9H5F3O4/c10-9(11,12)6-2-4(7(13)14)1-5(3-6)8(15)16/h1-3H,(H,13,14)(H,15,16)
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2-Methylisophthalic acidCas Number: 15120-47-5 Compound CID: 11446681Formula: C9H8O4 Molecular Weight: 180.16IUPAC Name: 2-methylbenzene-1,3-dicarboxylic acidSMILES: CC1=C(C=CC=C1C(=O)O)C(=O)OInChIKey: AIDLAEPHWROGFI-UHFFFAOYSA-NInChI: InChI=1S/C9H8O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
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2-bromobenzene-1,3-dicarboxylic acidCas Number: 22433-91-6 Compound CID: 329530Formula: C8H5BrO4 Molecular Weight: 245.03IUPAC Name: 2-bromobenzene-1,3-dicarboxylic acidSMILES: C1=CC(=C(C(=C1)C(=O)O)Br)C(=O)OInChIKey: LOICBODWTPYJIW-UHFFFAOYSA-NInChI: InChI=1S/C8H5BrO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
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2-Hydroxybenzene-1,3-dicarboxylic acidCas Number: 606-19-9 Compound CID: 11812Formula: C8H6O5 Molecular Weight: 182.13IUPAC Name: 2-hydroxybenzene-1,3-dicarboxylic acidSMILES: C1=CC(=C(C(=C1)C(=O)O)O)C(=O)OInChIKey: WVDGHGISNBRCAO-UHFFFAOYSA-NInChI: InChI=1S/C8H6O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
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5-Iodoisophthalic acidCas Number: 51839-16-8 Compound CID: 103988Formula: C8H5IO4 Molecular Weight: 292.03IUPAC Name: 5-iodobenzene-1,3-dicarboxylic acidSMILES: C1=C(C=C(C=C1C(=O)O)I)C(=O)OInChIKey: QMDFYAWUWIIQFM-UHFFFAOYSA-NInChI: InChI=1S/C8H5IO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)Synonyms: 5-Iodobenzene-1,3-dicarboxylic acid
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4-chloroisophthalic acidCas Number: 2845-85-4 Compound CID: 349658Formula: C8H5ClO4 Molecular Weight: 200.58IUPAC Name: 4-chlorobenzene-1,3-dicarboxylic acidSMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)ClInChIKey: APLYBKHRTXFIBT-UHFFFAOYSA-NInChI: InChI=1S/C8H5ClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
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4-Methylisophthalic acidCas Number: 3347-99-7 Compound CID: 595750Formula: C9H8O4 Molecular Weight: 180.16IUPAC Name: 4-methylbenzene-1,3-dicarboxylic acidSMILES: CC1=C(C=C(C=C1)C(=O)O)C(=O)OInChIKey: PNWSHHILERSSLF-UHFFFAOYSA-NInChI: InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
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4-Fluoroisophthalic acidCas Number: 327-95-7 Compound CID: 242256Formula: C8H5FO4 Molecular Weight: 184.12IUPAC Name: 4-fluorobenzene-1,3-dicarboxylic acidSMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)FInChIKey: OPWLKVOLSUNGEI-UHFFFAOYSA-NInChI: InChI=1S/C8H5FO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
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5-(Hydrazinesulfonyl)benzene-1,3-dicarboxylic acidCas Number: 89626-10-8 Compound CID: 274548Formula: C8H8N2O6S Molecular Weight: 260.23IUPAC Name: 5-(hydrazinesulfonyl)benzene-1,3-dicarboxylic acidSMILES: C1=C(C=C(C=C1C(=O)O)S(=O)(=O)NN)C(=O)OInChIKey: UWALZFACAZHTQM-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2O6S/c9-10-17(15,16)6-2-4(7(11)12)1-5(3-6)8(13)14/h1-3,10H,9H2,(H,11,12)(H,13,14)Synonyms: 5-(hydrazinesulfonyl)benzene-1,3-dicarboxylic acid | 5-(Hydrazinylsulfonyl)isophthalic acid | 5-(hydrazinosulfonyl)is...
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5-Cyano-1,3-benzenedicarboxylic acidCas Number: 23341-13-1Formula: C9H5NO4 Molecular Weight: 191.14IUPAC Name: 5-cyanobenzene-1,3-dicarboxylic acidSMILES: C1=C(C=C(C=C1C(=O)O)C(=O)O)C#NInChIKey: YKADUTAIRWMMFI-UHFFFAOYSA-NInChI: InChI=1S/C9H5NO4/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3H,(H,11,12)(H,13,14)Synonyms: 1,3-Benzenedicarboxylic acid, 5-cyano- | 5-Cyano-1,3-benzenedicarboxylic acid, >=95% | EINECS 245-594-4 | SCHEMBL2511...
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5,5',5''-((1,3,5-Triazine-2,4,6-triyl)tris(azanediyl))triisophthalic acidCas Number: 776242-98-9 Compound CID: 57252878Formula: C27H18N6O12 Molecular Weight: 618.5IUPAC Name: 5-[[4,6-bis(3,5-dicarboxyanilino)-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylic acidSMILES: C1=C(C=C(C=C1C(=O)O)NC2=NC(=NC(=N2)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)NC4=CC(=CC(=C4)C(=O)O)C(=O)O)C(=O)OInChIKey: DHLQCTZKYCWGKN-UHFFFAOYSA-NInChI: show more
