[(2,2-dichlorocyclopropyl)methyl]triphenylphosphanium bromide

• ChemBase ID: 81187
• Molecular Formular: C22H20BrCl2P
• Molecular Mass: 466.177961
• Monoisotopic Mass: 463.98630463
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC1C(C1)(Cl)Cl.[Br-]
• Canonical SMILES: ClC1(Cl)CC1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C22H20Cl2P.BrH/c23-22(24)16-18(22)17-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,18H,16-17H2;1H/q+1;/p-1
• InChIKey: MLALIFVFVAZJOL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,2-dichlorocyclopropyl)methyl]triphenylphosphanium bromide
• IUPAC Traditional name: [(2,2-dichlorocyclopropyl)methyl]triphenylphosphanium bromide
• Synonyms: [(2,2-dichlorocyclopropyl)methyl](triphenyl)phosphonium bromide

Database IDs

• MDL Number: MFCD02089589
• PubChem SID: 162068306
• PubChem CID: 2777033

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.137509
• LogD (pH = 7.4): 6.137509
• Log P: 6.137509
• Molar Refractivity: 109.18 cm^3
• Polarizability: 42.756897 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false