Cas no 7237-16-3 (Phosphonic acid, phenyl-, bis(1-methylethyl) ester)

Phosphonic acid, phenyl-, bis(1-methylethyl) ester structure
7237-16-3 structure
Product Name:Phosphonic acid, phenyl-, bis(1-methylethyl) ester
CAS No:7237-16-3
MF:C12H19O3P
MW:242.251224756241
CID:544069
PubChem ID:4228208
Update Time:2025-04-19

Phosphonic acid, phenyl-, bis(1-methylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, phenyl-, bis(1-methylethyl) ester
    • AKOS024339507
    • phenyl-phosphonic acid diisopropyl ester
    • diisopropyl phenylphosphonate
    • 7237-16-3
    • SCHEMBL4193997
    • Inchi: 1S/C12H19O3P/c1-10(2)14-16(13,15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
    • InChI Key: CTLLAZAHTUAAGH-UHFFFAOYSA-N
    • SMILES: P(C1C=CC=CC=1)(=O)(OC(C)C)OC(C)C

Computed Properties

  • Exact Mass: 242.10727
  • Monoisotopic Mass: 242.107
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 231
  • 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
  • Topological Polar Surface Area: 35.5A^2
  • XLogP3: 2.6

Experimental Properties

  • PSA: 35.53
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