Cas no 647853-24-5 (1H-Indazol-7-amine, 3-chloro-5-nitro-)

1H-Indazol-7-amine, 3-chloro-5-nitro- structure
647853-24-5 structure
Product Name:1H-Indazol-7-amine, 3-chloro-5-nitro-
CAS No:647853-24-5
MF:C7H5ClN4O2
MW:212.593199491501
CID:416230
PubChem ID:11367853
Update Time:2025-04-19

1H-Indazol-7-amine, 3-chloro-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazol-7-amine, 3-chloro-5-nitro-
    • 3-chloro-5-nitro-2H-indazol-7-amine
    • 3-CHLORO-5-NITRO-1H-INDAZOL-7-AMINE
    • DTXSID80463730
    • 647853-24-5
    • 3-Chloro-5-nitro-1H-indazol-7-ylamine
    • 3-Chloro-5-nitro-2H-indazol-7-ylamine
    • Inchi: 1S/C7H5ClN4O2/c8-7-4-1-3(12(13)14)2-5(9)6(4)10-11-7/h1-2H,9H2,(H,10,11)
    • InChI Key: XMYWZRSSDOQXDB-UHFFFAOYSA-N
    • SMILES: ClC1=C2C=C(C=C(C2=NN1)N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 212.01025
  • Monoisotopic Mass: 212.0101031g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 246
  • 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: 1.7
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 97.84
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