tris(4-methoxyphenyl)(methyl)phosphanium bromide

• ChemBase编号: 80982
• 分子式: C22H24BrO3P
• 平均质量: 447.301921
• 单一同位素质量: 446.06464326
• SMILES: [P+](c1ccc(cc1)OC)(c1ccc(cc1)OC)(c1ccc(cc1)OC)C.[Br-]
• Canonical SMILES: COc1ccc(cc1)[P+](c1ccc(cc1)OC)(c1ccc(cc1)OC)C.[Br-]
• InChI: InChI=1S/C22H24O3P.BrH/c1-23-17-5-11-20(12-6-17)26(4,21-13-7-18(24-2)8-14-21)22-15-9-19(25-3)10-16-22;/h5-16H,1-4H3;1H/q+1;/p-1
• InChIKey: RCZHTBLHCLCVNB-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tris(4-methoxyphenyl)(methyl)phosphanium bromide
• IUPAC传统名: tris(4-methoxyphenyl)(methyl)phosphanium bromide
• 别名: tris(4-methoxyphenyl)(methyl)phosphonium bromide

登记号

• MDL号: MFCD01566092
• PubChem SID: 162068101
• PubChem CID: 2776827

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.258555
• LogD (pH = 7.4): 4.258555
• Log P: 4.258555
• 摩尔折射率: 106.5616 cm^3
• 极化性: 41.87591 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true