[2-(1,3-Dioxolan-2-yl)ethyl]triphenylphosphonium bromide

C₂₃H₂₄BrO₂PCAS 86608-70-0443.32 g/mol

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Properties

Molecular formula: C₂₃H₂₄BrO₂P
Molar mass: 443.32 g/mol
Exact mass: 442.0697 Da
logP: 0.75Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

86608-70-0

SMILES

[Br-].c1ccc([P+](CCC2OCCO2)(c2ccccc2)c2ccccc2)cc1

InChIKey

ZCJKBPSRKLHANV-UHFFFAOYSA-M

InChI

InChI=1S/C23H24O2P.BrH/c1-4-10-20(11-5-1)26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)19-16-23-24-17-18-25-23;/h1-15,23H,16-19H2;1H/q+1;/p-1

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Names and synonyms

3 names

Phosphonium, [2-(1,3-dioxolan-2-yl)ethyl]triphenyl-, bromide (1:1)
Phosphonium, [2-(1,3-dioxolan-2-yl)ethyl]triphenyl-, bromide
2-(3,3-Dioxolan-2-yl)ethyltriphenylphosphonium bromide

Work with [2-(1,3-Dioxolan-2-yl)ethyl]triphenylphosphonium bromide

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

[2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide69891-92-587 % similar (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide52509-14-569 % similar Isopentyltriphenylphosphonium bromide28322-40-959 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-559 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-655 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-750 % similar Propyltriphenylphosphonium bromide6228-47-350 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(4-Carboxybutyl)triphenylphosphonium bromide17814-85-6 (1-Ethoxycarbonylethyl)triphenylphosphonium bromide30018-16-7

Elsewhere

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