[(2,2-dibromo-3-methylcyclopropyl)methyl]triphenylphosphanium iodide

• ChemBase编号: 85328
• 分子式: C23H22Br2IP
• 平均质量: 616.107011
• 单一同位素质量: 613.88705933
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC1C(C1C)(Br)Br.[I-]
• Canonical SMILES: CC1C(C1(Br)Br)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• InChI: InChI=1S/C23H22Br2P.HI/c1-18-22(23(18,24)25)17-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18,22H,17H2,1H3;1H/q+1;/p-1
• InChIKey: IUKBQBKSHDZHGA-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [(2,2-dibromo-3-methylcyclopropyl)methyl]triphenylphosphanium iodide
• IUPAC传统名: [(2,2-dibromo-3-methylcyclopropyl)methyl]triphenylphosphanium iodide
• 别名: [(2,2-dibromo-3-methylcyclopropyl)methyl](triphenyl)phosphonium iodide

登记号

• MDL号: MFCD01571056
• PubChem SID: 162072444
• PubChem CID: 2795288

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.692365
• LogD (pH = 7.4): 6.692365
• Log P: 6.692365
• 摩尔折射率: 119.2296 cm^3
• 极化性: 46.160793 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false