zinc(2+) ion bis(nonafluorobutane-1-sulfonate)

• ChemBase编号: 94538
• 分子式: C8F18O6S2Zn
• 平均质量: 663.5632576
• 单一同位素质量: 661.81402968
• SMILES: [Zn+2].S(=O)(=O)([O-])C(F)(C(C(C(F)(F)F)(F)F)(F)F)F.S(=O)(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[O-]
• Canonical SMILES: FC(C(C(S(=O)(=O)[O-])(F)F)(F)F)(C(F)(F)F)F.FC(C(C(S(=O)(=O)[O-])(F)F)(F)F)(C(F)(F)F)F.[Zn+2]
• InChI: InChI=1S/2C4HF9O3S.Zn/c2*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h2*(H,14,15,16);/q;;+2/p-2
• InChIKey: CMUICSBDARJXPJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: zinc(2+) ion bis(nonafluorobutane-1-sulfonate)
• IUPAC传统名: zinc, ion (zn2+) bis(nonafluorobutane-1-sulfonate)
• 别名: Zinc nonafluorobutanesulphonate

登记号

• MDL号: MFCD03094139
• PubChem SID: 162081192
• PubChem CID: 2778187

理论计算性质

• Acid pKa: -3.314291
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.2508584
• LogD (pH = 7.4): 0.25085825
• Log P: 2.627257
• 摩尔折射率: 31.1852 cm^3
• 极化性: 13.165969 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: none°C

安全信息

• 保存注意事项: Irritant