[(2,6-dichlorophenyl)methyl]tripropylphosphanium chloride

• ChemBase ID: 80958
• Molecular Formular: C16H26Cl3P
• Molecular Mass: 355.710401
• Monoisotopic Mass: 354.0837705
• SMILES: [P+](Cc1c(cccc1Cl)Cl)(CCC)(CCC)CCC.[Cl-]
• Canonical SMILES: CCC[P+](Cc1c(Cl)cccc1Cl)(CCC)CCC.[Cl-]
• InChI: InChI=1S/C16H26Cl2P.ClH/c1-4-10-19(11-5-2,12-6-3)13-14-15(17)8-7-9-16(14)18;/h7-9H,4-6,10-13H2,1-3H3;1H/q+1;/p-1
• InChIKey: FTHSQXZUBPPSNN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,6-dichlorophenyl)methyl]tripropylphosphanium chloride
• IUPAC Traditional name: [(2,6-dichlorophenyl)methyl]tripropylphosphanium chloride
• Synonyms: (2,6-dichlorobenzyl)(tripropyl)phosphonium chloride

Database IDs

• MDL Number: MFCD02682094
• PubChem SID: 162068077
• PubChem CID: 2776802

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.847137
• LogD (pH = 7.4): 5.847137
• Log P: 5.847137
• Molar Refractivity: 89.6332 cm^3
• Polarizability: 35.560738 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false