Cas no 114519-94-7 ((2,2,2-tribromo-1-chloroethyl) carbonochloridate)

(2,2,2-tribromo-1-chloroethyl) carbonochloridate structure
114519-94-7 structure
Product Name:(2,2,2-tribromo-1-chloroethyl) carbonochloridate
CAS No:114519-94-7
MF:C3HBr3Cl2O2
MW:379.65683722496
CID:2613019
PubChem ID:14545146
Update Time:2025-04-21

(2,2,2-tribromo-1-chloroethyl) carbonochloridate Chemical and Physical Properties

Names and Identifiers

    • (2,2,2-tribromo-1-chloroethyl) carbonochloridate
    • DTXSID70561476
    • SCHEMBL10629825
    • 114519-94-7
    • DTXCID00512254
    • 2,2,2-Tribromo-1-chloroethyl carbonochloridate
    • Inchi: 1S/C3HBr3Cl2O2/c4-3(5,6)1(7)10-2(8)9/h1H
    • InChI Key: JLMCXQGPXVTCHI-UHFFFAOYSA-N
    • SMILES: BrC(C(OC(=O)Cl)Cl)(Br)Br

Computed Properties

  • Exact Mass: 377.68832g/mol
  • Monoisotopic Mass: 375.69037g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 134
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 26.3?2

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