Cas no 55234-37-2 (Phosphonic acid, (3-bromo-2-oxopropyl)-, diethyl ester)

Phosphonic acid, (3-bromo-2-oxopropyl)-, diethyl ester structure
55234-37-2 structure
Product Name:Phosphonic acid, (3-bromo-2-oxopropyl)-, diethyl ester
CAS No:55234-37-2
MF:C7H14BrO4P
MW:273.06142282486
CID:352461
PubChem ID:12201195
Update Time:2025-04-19

Phosphonic acid, (3-bromo-2-oxopropyl)-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, (3-bromo-2-oxopropyl)-, diethyl ester
    • 1-bromo-3-diethoxyphosphorylpropan-2-one
    • DTXSID30480210
    • 55234-37-2
    • Inchi: 1S/C7H14BrO4P/c1-3-11-13(10,12-4-2)6-7(9)5-8/h3-6H2,1-2H3
    • InChI Key: RNASYFMNNWFUSJ-UHFFFAOYSA-N
    • SMILES: BrCC(CP(=O)(OCC)OCC)=O

Computed Properties

  • Exact Mass: 271.98132
  • Monoisotopic Mass: 271.98131g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 197
  • 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: 0.7
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
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