1,1,2,3,3,4,5,5,5-nonachloropent-1-ene

• ChemBase编号: 111836
• 分子式: C5HCl9
• 平均质量: 380.13844
• 单一同位素质量: 375.72749915
• SMILES: ClC(C(Cl)(Cl)Cl)C(Cl)(Cl)C(=C(Cl)Cl)Cl
• Canonical SMILES: ClC(=C(C(C(C(Cl)(Cl)Cl)Cl)(Cl)Cl)Cl)Cl
• InChI: InChI=1S/C5HCl9/c6-1(2(7)8)4(10,11)3(9)5(12,13)14/h3H
• InChIKey: RNIRVEPXXQSWMD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,3,3,4,5,5,5-nonachloropent-1-ene
• IUPAC传统名: 1,1,2,3,3,4,5,5,5-nonachloropent-1-ene
• 别名: 1,1,2,3,3,4,5,5,5-NONACHLORO-1-PENTENE

登记号

• PubChem SID: 162106530
• PubChem CID: 44135669

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.760776
• LogD (pH = 7.4): 5.760776
• Log P: 5.760776
• 摩尔折射率: 79.7205 cm^3
• 极化性: 27.08407 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05221233

MP Biomedicals Rare Chemical collection