(2-methoxy-2-oxoethyl)(methyl)diphenylphosphanium bromide

• ChemBase编号: 86149
• 分子式: C16H18BrO2P
• 平均质量: 353.190681
• 单一同位素质量: 352.02277845
• SMILES: [P+](c1ccccc1)(c1ccccc1)(CC(=O)OC)C.[Br-]
• Canonical SMILES: COC(=O)C[P+](c1ccccc1)(c1ccccc1)C.[Br-]
• InChI: InChI=1S/C16H18O2P.BrH/c1-18-16(17)13-19(2,14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12H,13H2,1-2H3;1H/q+1;/p-1
• InChIKey: OJAJSDLKWYTAIS-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (2-methoxy-2-oxoethyl)(methyl)diphenylphosphanium bromide
• IUPAC传统名: (2-methoxy-2-oxoethyl)(methyl)diphenylphosphanium bromide
• 别名: (2-methoxy-2-oxoethyl)(methyl)diphenylphosphonium bromide

登记号

• MDL号: MFCD00221007
• PubChem SID: 162073265
• PubChem CID: 2797759

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.6974878
• LogD (pH = 7.4): 2.6974878
• Log P: 2.6974878
• 摩尔折射率: 78.2481 cm^3
• 极化性: 31.04985 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true