Cas no 52773-68-9 ( )

  structure
  structure
Product Name: 
CAS No:52773-68-9
MF:C21H22O2P2
MW:368.345707416534
CID:937448
PubChem ID:303886
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • [2-diphenylphosphorylethyl(methyl)phosphoryl]benzene
    • AC1L73Q1
    • NSC193760
    • NSC-193760
    • [2-(Diphenylphosphoryl)ethyl](methyl)oxo(phenyl)-lambda~5~-phosphane
    • 52773-68-9
    • DTXSID90307671
    •  
    • Inchi: 1S/C21H22O2P2/c1-24(22,19-11-5-2-6-12-19)17-18-25(23,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3
    • InChI Key: QRHRGRBKKKABCA-UHFFFAOYSA-N
    • SMILES: P(C1C=CC=CC=1)(C1C=CC=CC=1)(CCP(C)(C1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 368.10966
  • Monoisotopic Mass: 368.10950394g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 476
  • 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: 3.2
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
  • LogP: 4.31890
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