Cas no 142741-07-9 (8-nitro-9H-Pyrido[3,4-b]indole)

8-nitro-9H-Pyrido[3,4-b]indole structure
142741-07-9 structure
Product Name:8-nitro-9H-Pyrido[3,4-b]indole
CAS No:142741-07-9
MF:C11H7N3O2
MW:213.192181825638
CID:1106050
PubChem ID:11745952
Update Time:2025-04-20

8-nitro-9H-Pyrido[3,4-b]indole Chemical and Physical Properties

Names and Identifiers

    • 8-nitro-9H-Pyrido[3,4-b]indole
    • DB-369718
    • 142741-07-9
    • InChI=1/C11H7N3O2/c15-14(16)10-3-1-2-8-7-4-5-12-6-9(7)13-11(8)10/h1-6,13
    • Inchi: 1S/C11H7N3O2/c15-14(16)10-3-1-2-8-7-4-5-12-6-9(7)13-11(8)10/h1-6,13H
    • InChI Key: JGNMVRGRXPJCHY-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC2C3C=CN=CC=3NC=21)=O

Computed Properties

  • Exact Mass: 213.05391
  • Monoisotopic Mass: 213.053826475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 291
  • 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: 2.1
  • Topological Polar Surface Area: 74.5?2

Experimental Properties

  • PSA: 71.82
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