Cas no 96734-65-5 (1H-Pyrazole-3,4-dicarboxylicacid, 1-(3-chlorophenyl)-5-(4-chlorophenyl)-)

1H-Pyrazole-3,4-dicarboxylicacid, 1-(3-chlorophenyl)-5-(4-chlorophenyl)- structure
96734-65-5 structure
Product Name:1H-Pyrazole-3,4-dicarboxylicacid, 1-(3-chlorophenyl)-5-(4-chlorophenyl)-
CAS No:96734-65-5
MF:C17H10Cl2N2O4
MW:377.178302288055
CID:816092
PubChem ID:176581
Update Time:2025-04-19

1H-Pyrazole-3,4-dicarboxylicacid, 1-(3-chlorophenyl)-5-(4-chlorophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3,4-dicarboxylicacid, 1-(3-chlorophenyl)-5-(4-chlorophenyl)-
    • 1-(3-chlorophenyl)-5-(4-chlorophenyl)pyrazole-3,4-dicarboxylic acid
    • DTXSID50242493
    • 96734-65-5
    • 1H-Pyrazole-3,4-dicarboxylic acid, 1-(3-chlorophenyl)-5-(4-chlorophenyl)-
    • Inchi： 1S/C17H10Cl2N2O4/c18-10-6-4-9(5-7-10)15-13(16(22)23)14(17(24)25)20-21(15)12-3-1-2-11(19)8-12/h1-8H,(H,22,23)(H,24,25)
    • InChI Key： POYIRGSFNZSLQO-UHFFFAOYSA-N
    • SMILES： ClC1=CC=CC(=C1)N1C(C2C=CC(=CC=2)Cl)=C(C(=O)O)C(C(=O)O)=N1

Computed Properties

  • Exact Mass: 376.002
  • Monoisotopic Mass: 376.002
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 513
  • 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: 4.2
  • Topological Polar Surface Area: 92.4?2

Experimental Properties

  • Density: 1.54
  • Boiling Point: 591°Cat760mmHg
  • Flash Point: 311.2°C
  • Refractive Index: 1.686

1H-Pyrazole-3,4-dicarboxylicacid, 1-(3-chlorophenyl)-5-(4-chlorophenyl)- Related Literature

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