2-[2-(trifluoromethoxy)phenyl]benzene-1-diazonium; hexafluorostibanuide

• ChemBase编号: 97471
• 分子式: C13H8F9N2OSb
• 平均质量: 500.9610488
• 单一同位素质量: 499.95310687
• SMILES: O(c1ccccc1c1ccccc1[N+]#N)C(F)(F)F.F[Sb-](F)(F)(F)(F)F
• Canonical SMILES: F[Sb-](F)(F)(F)(F)F.N#[N+]c1ccccc1c1ccccc1OC(F)(F)F
• InChI: InChI=1S/C13H8F3N2O.6FH.Sb/c14-13(15,16)19-12-8-4-2-6-10(12)9-5-1-3-7-11(9)18-17;;;;;;;/h1-8H;6*1H;/q+1;;;;;;;+5/p-6
• InChIKey: KXXILDMRVYWLKI-UHFFFAOYSA-H

名称和登记号

名称

• IUPAC标准名: 2-[2-(trifluoromethoxy)phenyl]benzene-1-diazonium; hexafluorostibanuide
• IUPAC传统名: 2-[2-(trifluoromethoxy)phenyl]benzenediazonium; hexafluorostibanuide
• 别名: 2-(Trifluoromethoxy)biphenyl-2'-diazonium hexafluoroantimonate

登记号

• CAS号: 175676-17-2
• MDL号: MFCD01073547
• PubChem SID: 162084078
• PubChem CID: 2777263

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.8880763
• LogD (pH = 7.4): 4.8880763
• Log P: 4.8880763
• 摩尔折射率: 79.9106 cm^3
• 极化性: 24.30707 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false