9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride

• ChemBase编号: 100877
• 分子式: C9Cl2F16O
• 平均质量: 498.9761512
• 单一同位素质量: 497.9070715
• SMILES: FC(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)Cl
• Canonical SMILES: ClC(=O)C(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9Cl2F16O/c10-1(28)2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(11,26)27
• InChIKey: LPBOLJCVHPGHSK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride
• IUPAC传统名: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride
• 别名: 9-Chloroperfluorononanoyl chloride

登记号

• MDL号: MFCD00155673
• PubChem SID: 162086969
• PubChem CID: 2773822

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.5534983
• LogD (pH = 7.4): 6.5534983
• Log P: 6.5534983
• 摩尔折射率: 55.0232 cm^3
• 极化性: 21.70331 Å^3
• 极化表面积: 17.07 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

• 沸点: 68-70°C/14mm

安全信息

• 保存注意事项: Corrosive