[(4-fluorophenyl)methyl](methyl)diphenylphosphanium chloride

• ChemBase编号: 96494
• 分子式: C20H19ClFP
• 平均质量: 344.7900242
• 单一同位素质量: 344.08969314
• SMILES: [P+](c1ccccc1)(c1ccccc1)(Cc1ccc(cc1)F)C.[Cl-]
• Canonical SMILES: Fc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)C.[Cl-]
• InChI: InChI=1S/C20H19FP.ClH/c1-22(19-8-4-2-5-9-19,20-10-6-3-7-11-20)16-17-12-14-18(21)15-13-17;/h2-15H,16H2,1H3;1H/q+1;/p-1
• InChIKey: QJGLFQHHWVWCHA-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [(4-fluorophenyl)methyl](methyl)diphenylphosphanium chloride
• IUPAC传统名: [(4-fluorophenyl)methyl](methyl)diphenylphosphanium chloride
• 别名: (4-fluorobenzyl)(methyl)diphenylphosphonium chloride

登记号

• MDL号: MFCD00221008
• PubChem SID: 162083143
• PubChem CID: 2781603

理论计算性质

• Acid pKa: 17.630646
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.1483417
• LogD (pH = 7.4): 5.1483417
• Log P: 5.1483417
• 摩尔折射率: 92.125 cm^3
• 极化性: 35.865204 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false