(4-chlorophenyl)(tridecafluorohexyl)iodanium; tetrafluoroboranuide

• ChemBase编号: 281723
• 分子式: C12H4BClF17I
• 平均质量: 644.3014844
• 单一同位素质量: 643.88678595
• SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C([I+]c1ccc(Cl)cc1)(F)F)(F)F)(F)F.[B-](F)(F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)([I+]c1ccc(cc1)Cl)F.F[B-](F)(F)F
• InChI: InChI=1S/C12H4ClF13I.BF4/c13-5-1-3-6(4-2-5)27-12(25,26)10(20,21)8(16,17)7(14,15)9(18,19)11(22,23)24;2-1(3,4)5/h1-4H;/q+1;-1
• InChIKey: UJLGCLPCQHLFHZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-chlorophenyl)(tridecafluorohexyl)iodanium; tetrafluoroboranuide
• IUPAC传统名: (4-chlorophenyl)(tridecafluorohexyl)iodanium tetrafluoroborate
• 别名: (4-chlorophenyl)(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)iodanium; tetrafluoroboranuide

登记号

• MDL号: MFCD14705926
• PubChem SID: 180667254
• PubChem CID: 47003478

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.6918
• LogD (pH = 7.4): 7.6918
• Log P: 7.6918
• 摩尔折射率: 74.795 cm^3
• 极化性: 30.832174 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 疏水性(logP): 6.043

产品相关信息

• 纯度: 95%