methyl chlorotriphenylphosphinite

• ChemBase ID: 104313
• Molecular Formular: C19H18ClOP
• Molecular Mass: 328.772381
• Monoisotopic Mass: 328.07837951
• SMILES: COP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: COP(c1ccccc1)(c1ccccc1)(c1ccccc1)Cl
• InChI: InChI=1S/C19H18ClOP/c1-21-22(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
• InChIKey: XMYHRGXXFKJKJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl chlorotriphenylphosphinite
• IUPAC Traditional name: methyl chlorotriphenylphosphinite
• Synonyms: (METHOXYMETHYL)TRIPHENYL-PHOSPHONIUM CHLORIDE

Database IDs

• CAS Number: 4009-98-7
• PubChem SID: 162093081
• PubChem CID: 44134816

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.9328
• LogD (pH = 7.4): 5.9328
• Log P: 5.9328
• Molar Refractivity: 94.8061 cm^3
• Polarizability: 37.304688 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false