Cas no 80587-76-4 (1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO-)

1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO- structure
80587-76-4 structure
Product Name:1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO-
CAS No:80587-76-4
MF:C5ClN5
MW:165.539998054504
CID:3185629
PubChem ID:53940165
Update Time:2025-04-21

1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-TRIAZINE-2,4-DICARBONITRILE, 6-CHLORO-
    • 80587-76-4
    • DB-156037
    • 6-Chloro-1,3,5-triazine-2,4-dicarbonitrile
    • SCHEMBL9621851
    • Inchi: 1S/C5ClN5/c6-5-10-3(1-7)9-4(2-8)11-5
    • InChI Key: IXFRMEBPAAQQCJ-UHFFFAOYSA-N
    • SMILES: ClC1=NC(C#N)=NC(C#N)=N1

Computed Properties

  • Exact Mass: 164.9842227Da
  • Monoisotopic Mass: 164.9842227Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 210
  • 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
  • Topological Polar Surface Area: 86.3?2
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