4-Carbomethoxybenzyl triphenylphosphonium chloride

C₂₇H₂₄BrO₂PCAS 1253-46-9491.36 g/mol

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Properties

Molecular formula: C₂₇H₂₄BrO₂P
Molar mass: 491.36 g/mol
Exact mass: 490.0697 Da
logP: 1.97Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

1253-46-9

SMILES

COC(=O)C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChIKey

WUWDGVKUXDZLNU-UHFFFAOYSA-M

InChI

InChI=1S/C27H24O2P.BrH/c1-29-27(28)23-19-17-22(18-20-23)21-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1

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Names and synonyms

1 names

[4-(Methoxycarbonyl)benzyl](triphenyl)phosphonium bromide

Work with 4-Carbomethoxybenzyl triphenylphosphonium chloride

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-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-658 % similar Benzyltriphenylphosphonium bromide1449-46-354 % similar Methyl benzoate93-58-354 % similar (p-Methylbenzyl)triphenylphosphonium bromide2378-86-154 % similar [(Methoxycarbonyl)methyl]triphenylphosphonium bromide1779-58-453 % similar Methyl 4-biphenylcarboxylate720-75-253 % similar (4-Ethoxybenzyl)triphenylphosphonium bromide82105-88-251 % similar Dimethyl terephthalate120-61-650 % similar

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

Elsewhere

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