Cas no 87830-69-1 (Phosphonic acid, (3-bromo-2-oxopropyl)-, dimethyl ester)

Phosphonic acid, (3-bromo-2-oxopropyl)-, dimethyl ester structure
87830-69-1 structure
Product Name:Phosphonic acid, (3-bromo-2-oxopropyl)-, dimethyl ester
CAS No:87830-69-1
MF:C5H10BrO4P
MW:245.00826215744
CID:651881
PubChem ID:71412028
Update Time:2025-04-19

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

Names and Identifiers

    • Phosphonic acid, (3-bromo-2-oxopropyl)-, dimethyl ester
    • 1-bromo-3-dimethoxyphosphorylpropan-2-one
    • Dimethyl (3-bromo-2-oxopropyl)phosphonate
    • DTXSID30831602
    • 87830-69-1
    • Inchi: 1S/C5H10BrO4P/c1-9-11(8,10-2)4-5(7)3-6/h3-4H2,1-2H3
    • InChI Key: MTXDSELZQAXIFG-UHFFFAOYSA-N
    • SMILES: BrCC(CP(=O)(OC)OC)=O

Computed Properties

  • Exact Mass: 243.95001g/mol
  • Monoisotopic Mass: 243.95001g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 173
  • 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: 1.7
  • Topological Polar Surface Area: 52.6?2
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