(4-chlorophenyl)(heptafluoropropyl)iodanium; tetrafluoroboranuide

• ChemBase编号: 281721
• 分子式: C9H4BClF11I
• 平均质量: 494.2789652
• 单一同位素质量: 493.89636663
• SMILES: C(C([I+]c1ccc(Cl)cc1)(F)F)(C(F)(F)F)(F)F.[B-](F)(F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)(F)F)([I+]c1ccc(cc1)Cl)F.F[B-](F)(F)F
• InChI: InChI=1S/C9H4ClF7I.BF4/c10-5-1-3-6(4-2-5)18-9(16,17)7(11,12)8(13,14)15;2-1(3,4)5/h1-4H;/q+1;-1
• InChIKey: BPROOZKEQYXGEQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-chlorophenyl)(heptafluoropropyl)iodanium; tetrafluoroboranuide
• IUPAC传统名: (4-chlorophenyl)(heptafluoropropyl)iodanium tetrafluoroborate
• 别名: (4-chlorophenyl)(1,1,2,2,3,3,3-heptafluoropropyl)iodanium; tetrafluoroboranuide

登记号

• MDL号: MFCD14705924
• PubChem SID: 180667252
• PubChem CID: 47003474

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.1883
• LogD (pH = 7.4): 5.1883
• Log P: 5.1883
• 摩尔折射率: 60.791 cm^3
• 极化性: 25.431086 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 疏水性(logP): 5.688

产品相关信息

• 纯度: 95%