[(2,2-dichlorocyclopropyl)methyl]triphenylphosphanium bromide

• ChemBase编号: 81187
• 分子式: C22H20BrCl2P
• 平均质量: 466.177961
• 单一同位素质量: 463.98630463
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CC1C(C1)(Cl)Cl.[Br-]
• Canonical SMILES: ClC1(Cl)CC1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C22H20Cl2P.BrH/c23-22(24)16-18(22)17-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,18H,16-17H2;1H/q+1;/p-1
• InChIKey: MLALIFVFVAZJOL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [(2,2-dichlorocyclopropyl)methyl]triphenylphosphanium bromide
• IUPAC传统名: [(2,2-dichlorocyclopropyl)methyl]triphenylphosphanium bromide
• 别名: [(2,2-dichlorocyclopropyl)methyl](triphenyl)phosphonium bromide

登记号

• MDL号: MFCD02089589
• PubChem SID: 162068306
• PubChem CID: 2777033

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.137509
• LogD (pH = 7.4): 6.137509
• Log P: 6.137509
• 摩尔折射率: 109.18 cm^3
• 极化性: 42.756897 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