(Hydroxymethyl)triphenylphosphonium chloride

C₁₉H₁₈ClOPCAS 5293-83-4328.78 g/mol

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Properties

Molecular formula: C₁₉H₁₈ClOP
Molar mass: 328.78 g/mol
Exact mass: 328.0784 Da
Melting point: 190–192 °C
logP: -0.07Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Identifiers

CAS number

5293-83-4

SMILES

OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]

InChIKey

VTXFLDLWTNQCAL-UHFFFAOYSA-M

InChI

InChI=1S/C19H18OP.ClH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,20H,16H2;1H/q+1;/p-1

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Names and synonyms

3 names

Phosphonium, (hydroxymethyl)triphenyl-, chloride (1:1)
Phosphonium, (hydroxymethyl)triphenyl-, chloride
NSC 221281

Work with (Hydroxymethyl)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

(But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-456 % similar Benzyltriphenylphosphonium chloride1100-88-556 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-756 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-556 % similar Ethyltriphenylphosphonium chloride896-33-356 % similar (Cyanomethyl)triphenylphosphonium chloride4336-70-352 % similar Allyltriphenylphosphonium chloride18480-23-450 % similar Tetraphenylphosphonium chloride2001-45-850 % similar

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

Elsewhere

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