Cas no 102766-77-8 (Benzenamine, 4-(5-nitro-2-pyridinyl)-)

Benzenamine, 4-(5-nitro-2-pyridinyl)- structure
102766-77-8 structure
Product Name:Benzenamine, 4-(5-nitro-2-pyridinyl)-
CAS No:102766-77-8
MF:C11H9N3O2
MW:215.208061933517
CID:1133288
PubChem ID:71332870
Update Time:2025-04-20

Benzenamine, 4-(5-nitro-2-pyridinyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 4-(5-nitro-2-pyridinyl)-
    • 4-(5-nitropyridin-2-yl)aniline
    • 102766-77-8
    • DTXSID30761238
    • Inchi: 1S/C11H9N3O2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13-11)14(15)16/h1-7H,12H2
    • InChI Key: DBHIATIGDZLUSE-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CN=C(C=C1)C1C=CC(=CC=1)N)=O

Computed Properties

  • Exact Mass: 215.06957
  • Monoisotopic Mass: 215.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • 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: 1.6
  • Topological Polar Surface Area: 84.7?2

Experimental Properties

  • PSA: 82.05
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