2-(2,3-dichlorophenyl)azetidine hydrochloride

• ChemBase编号: 167158
• 分子式: C9H10Cl3N
• 平均质量: 238.5414
• 单一同位素质量: 236.98788237
• SMILES: C1CNC1c1cccc(c1Cl)Cl.Cl
• Canonical SMILES: Clc1c(C2CCN2)cccc1Cl.Cl
• InChI: InChI=1S/C9H9Cl2N.ClH/c10-7-3-1-2-6(9(7)11)8-4-5-12-8;/h1-3,8,12H,4-5H2;1H
• InChIKey: NHALEEMILBRBRO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,3-dichlorophenyl)azetidine hydrochloride
• IUPAC传统名: 2-(2,3-dichlorophenyl)azetidine hydrochloride
• 别名: 2-(2,3-Dichlorophenyl)azetidine Hydrochloride

登记号

• CAS号: 777887-21-5
• PubChem SID: 162261291
• PubChem CID: 71315994

理论计算性质

• Log P: 2.6878858
• 摩尔折射率: 51.4822 cm^3
• 极化性: 20.418987 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.37012404
• LogD (pH = 7.4): 1.0684764

详细说明

Toronto Research Chemicals - D435895

A 2-aryl substituted Azetidine (A813000) derivative used in the preparation of potential inhibitors of methionyl tRNA synthase.