Cas no 863637-25-6 (2H-Indazole-3-carbonitrile)

2H-Indazole-3-carbonitrile structure
2H-Indazole-3-carbonitrile structure
Product Name:2H-Indazole-3-carbonitrile
CAS No:863637-25-6
MF:C8H5N3
MW:143.145400762558
CID:4252203
Update Time:2025-04-24

2H-Indazole-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2H-Indazole-3-carbonitrile
    • Inchi: 1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
    • InChI Key: REHRQXVEAXFIML-UHFFFAOYSA-N
    • SMILES: N1=C2C(C=CC=C2)=C(C#N)N1

Computed Properties

  • Exact Mass: 143.048
  • Monoisotopic Mass: 143.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 52.5A^2

Experimental Properties

  • Density: 1.34
  • Boiling Point: 370.312°C at 760 mmHg
  • Flash Point: 126.669°C
  • Refractive Index: 1.685
  • PSA: 52.47000
  • LogP: 1.43458

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