Cas no 90656-45-4 ( )

  structure
  structure
Product Name: 
CAS No:90656-45-4
MF:C13H9Cl2NO2
MW:282.122061491013
CID:995011
PubChem ID:292746
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-2-(4-chloroanilino)benzoic acid
    • HPHVQTWDTOJVKU-UHFFFAOYSA-N
    • 90656-45-4
    • NSC-158696
    • DTXSID90303517
    • 4-chloro-2-[(4-chlorophenyl)amino]benzoic acid
    • 4-Chloro-2-(4-chloroanilino)benzoic acid #
    • 4',5-Dichlorodiphenylamine-2-carboxylic acid
    • NSC158696
    •  
    • Inchi: 1S/C13H9Cl2NO2/c14-8-1-4-10(5-2-8)16-12-7-9(15)3-6-11(12)13(17)18/h1-7,16H,(H,17,18)
    • InChI Key: HPHVQTWDTOJVKU-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(C(=O)O)=C(C=1)NC1C=CC(=CC=1)Cl

Computed Properties

  • Exact Mass: 281.0010339g/mol
  • Monoisotopic Mass: 281.0010339g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 293
  • 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: 6.2
  • Topological Polar Surface Area: 49.3?2
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