8-fluoro-4-hydrazinyl-2-methylquinoline hydrochloride

• ChemBase编号: 805342
• 分子式: C10H11ClFN3
• 平均质量: 227.6658432
• 单一同位素质量: 227.06255327
• SMILES: Cl.c1c(c2c(cc1)c(cc(n2)C)NN)F
• Canonical SMILES: NNc1cc(C)nc2c1cccc2F.Cl
• InChI: InChI=1S/C10H10FN3.ClH/c1-6-5-9(14-12)7-3-2-4-8(11)10(7)13-6;/h2-5H,12H2,1H3,(H,13,14);1H
• InChIKey: XKHPQCBJQGPOQG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-fluoro-4-hydrazinyl-2-methylquinoline hydrochloride
• IUPAC传统名: 8-fluoro-4-hydrazinyl-2-methylquinoline hydrochloride
• 别名: 8-FLUORO-4-HYDRAZINO-2-METHYLQUINOLINE HYDROCHLORIDE

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.5275006
• LogD (pH = 7.4): 1.7921499
• Log P: 1.7966152
• 摩尔折射率: 54.4939 cm^3
• 极化性: 20.913858 Å^3
• 极化表面积: 50.94 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%