Cas no 91353-90-1 (4-nitro-Benzo[c]cinnoline)

4-nitro-Benzo[c]cinnoline structure
4-nitro-Benzo[c]cinnoline structure
Product Name:4-nitro-Benzo[c]cinnoline
CAS No:91353-90-1
MF:C12H7N3O2
MW:225.202882051468
CID:787840
PubChem ID:15681673
Update Time:2025-04-19

4-nitro-Benzo[c]cinnoline Chemical and Physical Properties

Names and Identifiers

    • 4-nitro-Benzo[c]cinnoline
    • 4-nitrobenzo[c]cinnoline
    • 91353-90-1
    • DTXSID40576794
    • Inchi: 1S/C12H7N3O2/c16-15(17)11-7-3-5-9-8-4-1-2-6-10(8)13-14-12(9)11/h1-7H
    • InChI Key: ULXCLIUVAKPHOC-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC2=C1N=NC1C=CC=CC2=1)=O

Computed Properties

  • Exact Mass: 225.053826475g/mol
  • Monoisotopic Mass: 225.053826475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 305
  • 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: 2.3
  • Topological Polar Surface Area: 71.6?2
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