Cas no 89837-59-2 (1H-Perimidin-2(3H)-one, 6,7-dinitro-)

1H-Perimidin-2(3H)-one, 6,7-dinitro- structure
89837-59-2 structure
Product Name:1H-Perimidin-2(3H)-one, 6,7-dinitro-
CAS No:89837-59-2
MF:C11H6N4O5
MW:274.189141750336
CID:587667
PubChem ID:71326451
Update Time:2025-04-19

1H-Perimidin-2(3H)-one, 6,7-dinitro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Perimidin-2(3H)-one, 6,7-dinitro-
    • 6,7-dinitro-1,3-dihydroperimidin-2-one
    • DTXSID00755649
    • 89837-59-2
    • 6,7-Dinitro-1H-perimidin-2(3H)-one
    • Inchi: 1S/C11H6N4O5/c16-11-12-5-1-3-7(14(17)18)10-8(15(19)20)4-2-6(13-11)9(5)10/h1-4H,(H2,12,13,16)
    • InChI Key: FYLKCEOJVATLSP-UHFFFAOYSA-N
    • SMILES: O=C1NC2C=CC(=C3C(=CC=C(C3=2)N1)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 274.03381930g/mol
  • Monoisotopic Mass: 274.03381930g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 421
  • 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: 1.5
  • Topological Polar Surface Area: 133?2
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