Cas no 101421-23-2 (1H-Indazole, 5-chloro-6-nitro-)

1H-Indazole, 5-chloro-6-nitro- structure
101421-23-2 structure
Product Name:1H-Indazole, 5-chloro-6-nitro-
CAS No:101421-23-2
MF:C7H4ClN3O2
MW:197.578559875488
CID:1129252
PubChem ID:14439736
Update Time:2025-04-20

1H-Indazole, 5-chloro-6-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole, 5-chloro-6-nitro-
    • 5-chloro-6-nitro-1H-indazole
    • 1h-indazole,5-chloro-6-nitro-
    • DTXSID90560300
    • 101421-23-2
    • Inchi: 1S/C7H4ClN3O2/c8-5-1-4-3-9-10-6(4)2-7(5)11(12)13/h1-3H,(H,9,10)
    • InChI Key: DZZDOTRWNHJVCB-UHFFFAOYSA-N
    • SMILES: ClC1=CC2C=NNC=2C=C1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 196.99932
  • Monoisotopic Mass: 196.9992041g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 220
  • 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: 2
  • Topological Polar Surface Area: 74.5?2

Experimental Properties

  • PSA: 71.82
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