Cas no 27828-39-3 (Benzoic acid,2-[(2-carboxyphenyl)amino]-3-chloro-4-methyl-)

Benzoic acid,2-[(2-carboxyphenyl)amino]-3-chloro-4-methyl- structure
27828-39-3 structure
Product Name:Benzoic acid,2-[(2-carboxyphenyl)amino]-3-chloro-4-methyl-
CAS No:27828-39-3
MF:C15H12ClNO4
MW:305.713083267212
CID:268014
PubChem ID:214175
Update Time:2025-04-19

Benzoic acid,2-[(2-carboxyphenyl)amino]-3-chloro-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-[(2-carboxyphenyl)amino]-3-chloro-4-methyl-
    • 2-(2-carboxyanilino)-3-chloro-5-methylbenzoic acid
    • DTXSID90182142
    • BRN 2764560
    • 27828-39-3
    • 2-(o-Carboxyanilino)-3-chloro-o-toluic acid
    • o-Toluic acid, 2-(o-carboxyanilino)-3-chloro-
    • N-(2'-Chloro-3'-methyl-6'-carboxyphenyl)anthranilic acid
    • Anthranilic acid, N-(o-carboxyphenyl)-3-chloro-4-methyl-
    • Inchi： 1S/C15H12ClNO4/c1-8-6-10(15(20)21)13(11(16)7-8)17-12-5-3-2-4-9(12)14(18)19/h2-7,17H,1H3,(H,18,19)(H,20,21)
    • InChI Key： NCWRGTGABHVAOP-UHFFFAOYSA-N
    • SMILES： ClC1=CC(C)=CC(C(=O)O)=C1NC1C=CC=CC=1C(=O)O

Computed Properties

  • Exact Mass: 305.04556
  • Monoisotopic Mass: 305.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 403
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 86.6?2

Experimental Properties

  • Density: 1.464
  • Boiling Point: 474.6°Cat760mmHg
  • Flash Point: 240.9°C
  • Refractive Index: 1.683
  • PSA: 86.63

Benzoic acid,2-[(2-carboxyphenyl)amino]-3-chloro-4-methyl- Related Literature

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