chempirical

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

C11H16BrO3PCAS 38186-51-5307.12 g/mol

Open in Covalent MOL file
OPOBrO
HalogenPhosphate

Properties

Molecular formula
C11H16BrO3P
Molar mass
307.12 g/mol
Exact mass
306.0020 Da
logP
4.22Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
38186-51-5
SMILES
CCOP(=O)(Cc1ccc(Br)cc1)OCC
InChIKey
IPTXXSZUISGKCJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3

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Names and synonyms

8 names
  • Phosphonic acid, P-[(4-bromophenyl)methyl]-, diethyl ester
  • Phosphonic acid, [(4-bromophenyl)methyl]-, diethyl ester
  • Diethyl (4-bromophenyl)methanephosphonate
  • Diethyl p-bromobenzylphosphonate
  • Diethyl 4-bromobenzylphosphonate
  • Diethyl (4-bromophenyl)methylphosphonate
  • (4-Bromobenzyl)phosphonic acid diethyl ester
  • 1-Bromo-4-(diethoxyphosphorylmethyl)benzene

Work with Diethyl P-[(4-bromophenyl)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

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