(2-methoxyethyl)triphenylphosphanium bromide

• ChemBase ID: 291818
• Molecular Formular: C21H22BrOP
• Molecular Mass: 401.276541
• Monoisotopic Mass: 400.05916395
• SMILES: COCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• Canonical SMILES: COCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C21H22OP.BrH/c1-22-17-18-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,17-18H2,1H3;1H/q+1;/p-1
• InChIKey: TZSFISGIOFHBOJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)triphenylphosphanium bromide
• IUPAC Traditional name: (2-methoxyethyl)triphenylphosphanium bromide
• Synonyms: (2-Methoxyethyl)triphenylphosphonium bromide

Database IDs

• CAS Number: 55894-16-1
• MDL Number: MFCD00195808
• PubChem SID: 180677349
• PubChem CID: 22377376

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.424908
• LogD (pH = 7.4): 4.424908
• Log P: 4.424908
• Molar Refractivity: 98.4187 cm^3
• Polarizability: 38.761654 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%