7-chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carbonyl chloride

• ChemBase编号: 56594
• 分子式: C19H15Cl2NO
• 平均质量: 344.2345
• 单一同位素质量: 343.05306947
• SMILES: c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1cc(c(cc1)C)C
• Canonical SMILES: Cc1cc(ccc1C)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C19H15Cl2NO/c1-10-4-5-13(8-11(10)2)17-9-15(19(21)23)14-6-7-16(20)12(3)18(14)22-17/h4-9H,1-3H3
• InChIKey: HVBUHSJCKQENAS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carbonyl chloride
• IUPAC传统名: 7-chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carbonyl chloride
• 别名: 7-Chloro-2-(3,4-dimethylphenyl)-8-methylquinoline-4-carbonyl chloride

登记号

• MDL号: MFCD03422872
• PubChem SID: 162061357
• PubChem CID: 46779492

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.4991927
• LogD (pH = 7.4): 6.4991975
• Log P: 6.4991975
• 摩尔折射率: 95.7866 cm^3
• 极化性: 38.82013 Å^3
• 极化表面积: 29.96 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false