Cas no 91099-37-5 (1H-Pyrazole-3-diazonium, 4-cyano-5-phenyl-, chloride)

1H-Pyrazole-3-diazonium, 4-cyano-5-phenyl-, chloride structure
91099-37-5 structure
Product Name:1H-Pyrazole-3-diazonium, 4-cyano-5-phenyl-, chloride
CAS No:91099-37-5
MF:C10H6ClN5
MW:231.641139507294
CID:1959300
PubChem ID:71429006
Update Time:2025-04-21

1H-Pyrazole-3-diazonium, 4-cyano-5-phenyl-, chloride Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-diazonium, 4-cyano-5-phenyl-, chloride
    • 4-cyano-5-phenyl-1H-pyrazole-3-diazonium,chloride
    • 4-Cyano-5-phenyl-1H-pyrazole-3-diazonium chloride
    • DTXSID20847712
    • 91099-37-5
    • Inchi: 1S/C10H6N5.ClH/c11-6-8-9(14-15-10(8)13-12)7-4-2-1-3-5-7;/h1-5H,(H,14,15);1H/q+1;/p-1
    • InChI Key: DLAIIXBEBILUDT-UHFFFAOYSA-M
    • SMILES: [Cl-].N1C(=C(C#N)C([N+]#N)=N1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 231.0311729Da
  • Monoisotopic Mass: 231.0311729Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 315
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.6?2
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