N-(2-bromo-4,5-dimethylphenyl)-2,4-dichlorobenzamide

• ChemBase编号: 311890
• 分子式: C15H12BrCl2NO
• 平均质量: 373.07188
• 单一同位素质量: 370.94793137
• SMILES: c1(C(=O)Nc2c(cc(c(c2)C)C)Br)c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)C(=O)Nc1cc(C)c(cc1Br)C
• InChI: InChI=1S/C15H12BrCl2NO/c1-8-5-12(16)14(6-9(8)2)19-15(20)11-4-3-10(17)7-13(11)18/h3-7H,1-2H3,(H,19,20)
• InChIKey: ZGNBHNTZFJLWFH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-bromo-4,5-dimethylphenyl)-2,4-dichlorobenzamide
• IUPAC传统名: N-(2-bromo-4,5-dimethylphenyl)-2,4-dichlorobenzamide
• 别名: N-(2-bromo-4,5-dimethylphenyl)-2,4-dichlorobenzamide

登记号

• CAS号: 509113-98-8
• MDL号: MFCD03712398

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 6.068815
• LogD (pH = 7.4): 6.0688114
• Log P: 6.068815
• 摩尔折射率: 88.9063 cm^3
• 极化性: 33.06786 Å^3
• 极化表面积: 29.1 Å^2