(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide

C₂₂H₂₂BrO₂PCAS 52509-14-5429.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₂₂BrO₂P
Molar mass: 429.29 g/mol
Exact mass: 428.0541 Da
logP: 0.36Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

52509-14-5

SMILES

[Br-].c1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1

InChIKey

FRHRVQQUICVJDG-UHFFFAOYSA-M

InChI

InChI=1S/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names

Phosphonium, (1,3-dioxolan-2-ylmethyl)triphenyl-, bromide (1:1)
Phosphonium, (1,3-dioxolan-2-ylmethyl)triphenyl-, bromide
1,3-Dioxylany-2-yl)triphenylphosphonium bromide
[(1,3-Dioxolan-2-yl)methyl]triphenylphosphanium bromide

Work with (1,3-Dioxolan-2-ylmethyl)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

Same formula

(Carboxymethyl)triphenylphosphonium bromide ethyl ester1530-45-6

Elsewhere

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