Cas no 89929-62-4 (Benzonitrile, 2-methyl-4,6-dinitro-)

Benzonitrile, 2-methyl-4,6-dinitro- structure
89929-62-4 structure
Product Name:Benzonitrile, 2-methyl-4,6-dinitro-
CAS No:89929-62-4
MF:C8H5N3O4
MW:207.143001317978
CID:585106
PubChem ID:71326920
Update Time:2025-04-19

Benzonitrile, 2-methyl-4,6-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-methyl-4,6-dinitro-
    • 2-methyl-4,6-dinitrobenzonitrile
    • DTXSID50756045
    • 89929-62-4
    • SCHEMBL11443461
    • Inchi： 1S/C8H5N3O4/c1-5-2-6(10(12)13)3-8(11(14)15)7(5)4-9/h2-3H,1H3
    • InChI Key： KKNSTWHCKUTOPZ-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=CC(=CC(C)=C1C#N)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 207.02800565g/mol
  • Monoisotopic Mass: 207.02800565g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 323
  • 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: 1.7
  • Topological Polar Surface Area: 115?2

Benzonitrile, 2-methyl-4,6-dinitro- Related Literature

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