Cas no 395099-28-2 (3-(4-Methoxyphenyl)-5-nitro-1H-indazole)

3-(4-Methoxyphenyl)-5-nitro-1H-indazole structure
395099-28-2 structure
Product Name:3-(4-Methoxyphenyl)-5-nitro-1H-indazole
CAS No:395099-28-2
MF:C14H11N3O3
MW:269.255442857742
CID:1034123
PubChem ID:22479854
Update Time:2025-09-23

3-(4-Methoxyphenyl)-5-nitro-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Methoxyphenyl)-5-nitro-1H-indazole
    • J-510726
    • CHEMBL3983210
    • DTXSID30626010
    • DB-293649
    • SCHEMBL5382206
    • 395099-28-2
    • Inchi: 1S/C14H11N3O3/c1-20-11-5-2-9(3-6-11)14-12-8-10(17(18)19)4-7-13(12)15-16-14/h2-8H,1H3,(H,15,16)
    • InChI Key: SAADTSDBSVFUSH-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1)C1C2C=C(C=CC=2NN=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 269.08013
  • Monoisotopic Mass: 269.08004122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 352
  • 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: 3
  • Topological Polar Surface Area: 83.7?2

Experimental Properties

  • PSA: 81.05

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