(Methoxycarbonylmethyl)triphenylphosphonium chloride

C₂₁H₂₀ClO₂PCAS 2181-97-7370.81 g/mol

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Properties

Molecular formula: C₂₁H₂₀ClO₂P
Molar mass: 370.81 g/mol
Exact mass: 370.0889 Da
Melting point: 142 °C
logP: 0.16Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Identifiers

CAS number

2181-97-7

SMILES

COC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]

InChIKey

CXCXTEMZMJZMJX-UHFFFAOYSA-M

InChI

InChI=1S/C21H20O2P.ClH/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1

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Names and synonyms

6 names

Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-, chloride (1:1)
Phosphonium, (carboxymethyl)triphenyl-, chloride, methyl ester
Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-, chloride
(Carboxymethyl)triphenylphosphonium chloride, methyl ester
(2-Methoxy-2-oxoethyl)triphenylphosphonium chloride
(Methoxycarbonylmethyl)tris(phenyl)phosphonium chloride

Work with (Methoxycarbonylmethyl)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

[(Methoxycarbonyl)methyl]triphenylphosphonium bromide1779-58-482 % similar [(Ethoxycarbonyl)methyl]triphenylphosphonium chloride17577-28-568 % similar (tert-Butoxycarbonylmethyl)triphenylphosphonium chloride35000-37-466 % similar Acetonyltriphenylphosphonium chloride1235-21-858 % similar (Carboxymethyl)triphenylphosphonium bromide ethyl ester1530-45-655 % similar Methyl phenylacetate101-41-750 % similar (Methoxymethyl)triphenylphosphonium chloride4009-98-750 % similar Methyl 3-phenylpropionate103-25-349 % similar

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

Elsewhere

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