[3-(trifluoromethoxy)phenyl]hydrazine dihydrochloride

• ChemBase编号: 799225
• 分子式: C7H9Cl2F3N2O
• 平均质量: 265.0603696
• 单一同位素质量: 264.00440294
• SMILES: Cl.Cl.N(N)c1cc(ccc1)OC(F)(F)F
• Canonical SMILES: NNc1cccc(c1)OC(F)(F)F.Cl.Cl
• InChI: InChI=1S/C7H7F3N2O.2ClH/c8-7(9,10)13-6-3-1-2-5(4-6)12-11;;/h1-4,12H,11H2;2*1H
• InChIKey: RTEHCXPRSJCHSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(trifluoromethoxy)phenyl]hydrazine dihydrochloride
• IUPAC传统名: [3-(trifluoromethoxy)phenyl]hydrazine dihydrochloride
• 别名: 1-(3-(trifluoromethoxy)phenyl)hydrazine dihydrochloride

登记号

• CAS号: 133115-55-6

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 2.6147053
• LogD (pH = 7.4): 2.7931757
• Log P: 2.796
• 摩尔折射率: 38.835 cm^3
• 极化性: 14.879622 Å^3
• 极化表面积: 47.28 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 96%