chempirical

Iodomethyltriphenylphosphorane

C19H18IPCAS 20667-19-0404.23 g/mol

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Properties

Molecular formula
C19H18IP
Molar mass
404.23 g/mol
Exact mass
404.0191 Da
Melting point
176–181 °C
logP
4.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
20667-19-0
SMILES
CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
ZVVXVFDNCIMZHX-UHFFFAOYSA-N
InChI
InChI=1S/C19H18IP/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3

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Names and synonyms

1 names
  • Phosphorane, iodomethyltriphenyl-

Work with Iodomethyltriphenylphosphorane

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

Triphenylphosphine dichloride2526-64-938 % similar Toluene108-88-332 % similar

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

Same formula

Methyltriphenylphosphonium iodide2065-66-9

Elsewhere

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