chempirical

Diethyl P-[(4-chlorophenyl)methyl]phosphonate

C11H16ClO3PCAS 39225-17-7262.67 g/mol

Open in Covalent MOL file
OPOClO
HalogenPhosphate

Properties

Molecular formula
C11H16ClO3P
Molar mass
262.67 g/mol
Exact mass
262.0526 Da
Boiling point
180 °C (at 3 Torr)
logP
4.11Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
39225-17-7
SMILES
CCOP(=O)(Cc1ccc(Cl)cc1)OCC
InChIKey
BVQPVBZRJSFOEZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H16ClO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Phosphonic acid, P-[(4-chlorophenyl)methyl]-, diethyl ester
  • Phosphonic acid, [(4-chlorophenyl)methyl]-, diethyl ester
  • p-(Chlorobenzyl)phosphonic acid diethyl ester
  • Diethyl (p-chlorobenzyl)phosphonate
  • Diethyl (4-chlorobenzyl)phosphonate
  • [(4-Chlorophenyl)methyl]phosphonic acid diethyl ester
  • 4-(Chlorobenzyl)phosphonic acid diethyl ester
  • NSC 202843
  • 1-Chloro-4-(diethoxyphosphorylmethyl)benzene

Work with Diethyl P-[(4-chlorophenyl)methyl]phosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook