Cas no 206754-21-4 (Phosphonic acid, (bromofluoromethyl)-, diethyl ester)

Phosphonic acid, (bromofluoromethyl)-, diethyl ester structure
206754-21-4 structure
Product Name:Phosphonic acid, (bromofluoromethyl)-, diethyl ester
CAS No:206754-21-4
MF:C5H11BrFO3P
MW:249.015205621719
CID:1399542
PubChem ID:15449242
Update Time:2025-04-20

Phosphonic acid, (bromofluoromethyl)-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, (bromofluoromethyl)-, diethyl ester
    • 1-[[bromo(fluoro)methyl]-ethoxyphosphoryl]oxyethane
    • Diethyl [bromo(fluoro)methyl]phosphonate
    • 206754-21-4
    • DTXSID90572887
    • SCHEMBL22639014
    • diethyl bromofluoromethylphosphonate
    • Inchi: 1S/C5H11BrFO3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
    • InChI Key: GCJZFEOFDUEOKD-UHFFFAOYSA-N
    • SMILES: BrC(F)P(=O)(OCC)OCC

Computed Properties

  • Exact Mass: 247.96133
  • Monoisotopic Mass: 247.96132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 145
  • 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: 1.6
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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