Dimethyl P-(phenylmethyl)phosphonate

C₉H₁₃O₃PCAS 773-47-7200.17 g/mol

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Properties

Molecular formula: C₉H₁₃O₃P
Molar mass: 200.17 g/mol
Exact mass: 200.0602 Da
Boiling point: 132 °C (at 0.3 Torr)
logP: 2.67Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

773-47-7

SMILES

COP(=O)(Cc1ccccc1)OC

InChIKey

QLNYTKJCHFEIDA-UHFFFAOYSA-N

InChI

InChI=1S/C9H13O3P/c1-11-13(10,12-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

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Names and synonyms

5 names

Phosphonic acid, P-(phenylmethyl)-, dimethyl ester
Phosphonic acid, benzyl-, dimethyl ester
Phosphonic acid, (phenylmethyl)-, dimethyl ester
Dimethyl benzylphosphonate
NSC 202848

Work with Dimethyl P-(phenylmethyl)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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