Cas no 88974-79-2 (9H-Carbazole, 9-butyl-3-nitro-)

9H-Carbazole, 9-butyl-3-nitro- structure
88974-79-2 structure
Product Name:9H-Carbazole, 9-butyl-3-nitro-
CAS No:88974-79-2
MF:C16H16N2O2
MW:268.310443878174
CID:617475
PubChem ID:14962212
Update Time:2025-04-19

9H-Carbazole, 9-butyl-3-nitro- Chemical and Physical Properties

Names and Identifiers

    • 9H-Carbazole, 9-butyl-3-nitro-
    • 9-butyl-3-nitrocarbazole
    • 88974-79-2
    • DTXSID50566141
    • SCHEMBL11413547
    • AKOS015901500
    • 9-BUTYL-3-NITRO-9H-CARBAZOLE
    • Inchi: 1S/C16H16N2O2/c1-2-3-10-17-15-7-5-4-6-13(15)14-11-12(18(19)20)8-9-16(14)17/h4-9,11H,2-3,10H2,1H3
    • InChI Key: AEPGKFYDDKSQBC-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC2=C(C=1)C1C=CC=CC=1N2CCCC)=O

Computed Properties

  • Exact Mass: 268.121177757g/mol
  • Monoisotopic Mass: 268.121177757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 355
  • 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: 4.4
  • Topological Polar Surface Area: 50.8?2
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