chempirical

Acetonyltriphenylphosphonium chloride

C21H20ClOPCAS 1235-21-8354.81 g/mol

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OP+Cl−
Ketone

Properties

Molecular formula
C21H20ClOP
Molar mass
354.81 g/mol
Exact mass
354.0940 Da
Melting point
234 °C (decomposes)
logP
0.57Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
1235-21-8
SMILES
CC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey
XAMZZEBAJZJERT-UHFFFAOYSA-M
InChI
InChI=1S/C21H20OP.ClH/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,17H2,1H3;1H/q+1;/p-1

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Names and synonyms

5 names
  • Phosphonium, (2-oxopropyl)triphenyl-, chloride (1:1)
  • Phosphonium, acetonyltriphenyl-, chloride
  • Phosphonium, (2-oxopropyl)triphenyl-, chloride
  • (Acetylmethyl)triphenylphosphonium chloride
  • (2-Oxopropyl)triphenylphosphonium chloride

Work with Acetonyltriphenylphosphonium 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

Acetonyltriphenylphosphonium bromide2236-01-380 % similar (Methoxycarbonylmethyl)triphenylphosphonium chloride2181-97-758 % similar [(Ethoxycarbonyl)methyl]triphenylphosphonium chloride17577-28-555 % similar (tert-Butoxycarbonylmethyl)triphenylphosphonium chloride35000-37-454 % similar Ethyltriphenylphosphonium chloride896-33-350 % similar [(Methoxycarbonyl)methyl]triphenylphosphonium bromide1779-58-446 % similar Phenacyltriphenylphosphonium bromide6048-29-946 % similar (Methoxymethyl)triphenylphosphonium chloride4009-98-746 % similar

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

Elsewhere

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