319-39-1 (2-氯-N-(4-氯苯基)苯甲酰胺,Benzamide,2-chloro-N-(4-chlorophenyl)-)

快速询单

结构式：

2-氯-N-(4-氯苯基)苯甲酰胺MOL文件

CAS号：

319-39-1

中文名称：

2-氯-N-(4-氯苯基)苯甲酰胺

英文名称：

Benzamide,2-chloro-N-(4-chlorophenyl)-

分子式：

C₁₃H₉Cl₂NO

分子量：

266.122661352158

2-氯-N-(4-氯苯基)苯甲酰胺(319-39-1)名称与标识符

名称

中文别名：

2-氯-N-(4-氯苯基)苯甲酰胺;

英文别名：

Benzamide,2-chloro-N-(4-chlorophenyl)-;2-chloro-N-(4-chlorophenyl)benzamide;N1-(4-chlorophenyl)-2-chlorobenzamide;SCHEMBL2117583;2-Chloro-N-(4-chloro-phenyl)-benzamide;CS-0269496;AKOS001313108;SR-01000414637-1;DTXSID20953827;HMS545D09;2,4'-Dichlorobenzanilide;SR-01000414637;KKBYMZGIRNZAOT-UHFFFAOYSA-N;319-39-1;Z28161741;NSC6903;Maybridge1_001307;NSC-6903;DS-006514;

标识符

MDL：

MFCD00018259

InChIKey：

KKBYMZGIRNZAOT-UHFFFAOYSA-N

Inchi：

1S/C13H9Cl2NO/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h1-8H,(H,16,17)

SMILES：

ClC1C=CC=CC=1C(NC1C=CC(=CC=1)Cl)=O

2-氯-N-(4-氯苯基)苯甲酰胺(319-39-1)物化性质

实验特性

PSA : 29.1
折射率 : 1.656
沸点 : 316.4°C at 760 mmHg
闪点 : 145.1°C
密度 : 1.384

计算特性

精确分子量 : 265.00627
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 265.006
重原子数量 : 17
复杂度 : 264
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 4.3
拓扑分子极性表面积 : 29.1A^2

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