Cas no 60044-29-3 (Acetyl azide, tribromo-)

Acetyl azide, tribromo- structure
Acetyl azide, tribromo- structure
Product Name:Acetyl azide, tribromo-
CAS No:60044-29-3
MF:C2Br3N3O
MW:321.752897262573
CID:499416
PubChem ID:21453343
Update Time:2025-04-19

Acetyl azide, tribromo- Chemical and Physical Properties

Names and Identifiers

    • Acetyl azide, tribromo-
    • 2,2,2-tribromoacetyl azide
    • Inchi: 1S/C2Br3N3O/c3-2(4,5)1(9)7-8-6
    • InChI Key: LFLVQWUWRGFCDB-UHFFFAOYSA-N
    • SMILES: BrC(C(N=[N+]=[N-])=O)(Br)Br

Computed Properties

  • Exact Mass: 318.7591
  • Monoisotopic Mass: 318.75915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 166
  • 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: 3.4
  • Topological Polar Surface Area: 31.4?2

Experimental Properties

  • PSA: 65.83
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