(2-phenoxyethyl)triphenylphosphanium bromide

• ChemBase编号: 82252
• 分子式: C26H24BrOP
• 平均质量: 463.345921
• 单一同位素质量: 462.07481402
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCOc1ccccc1.[Br-]
• Canonical SMILES: c1ccc(cc1)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C26H24OP.BrH/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1
• InChIKey: QFIVZQJPMLZRIS-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (2-phenoxyethyl)triphenylphosphanium bromide
• IUPAC传统名: (2-phenoxyethyl)triphenylphosphanium bromide
• 别名: (2-phenoxyethyl)(triphenyl)phosphonium bromide

登记号

• MDL号: MFCD00965302
• PubChem SID: 162069371
• PubChem CID: 2778279

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.115933
• LogD (pH = 7.4): 6.115933
• Log P: 6.115933
• 摩尔折射率: 117.9274 cm^3
• 极化性: 46.54003 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false