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

C11H16BrO3PCAS 38186-51-5307.12 g/mol

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OPOBrO
Aryl halidePhosphonate

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

9 names
  • Diethyl P-[(4-bromophenyl)methyl]phosphonate
  • 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

Similar compounds

P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-779 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-572 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-669 % similar Diethyl P-[(4-methylphenyl)methyl]phosphonate3762-25-268 % similar Diethyl (4-aminobenzyl)phosphonate20074-79-766 % similar Diethyl 4-chlorobenzylphosphonate39225-17-766 % similar Diethyl P-[(4-fluorophenyl)methyl]phosphonate63909-58-066 % similar Diethyl P-((4-methoxyphenyl)methyl)phosphonate1145-93-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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