199277-23-1 (1-azido-2-(2-phenylethynyl)benzene,1-Azido-2-(phenylethynyl)benzene)

快速询单

结构式：

1-azido-2-(2-phenylethynyl)benzeneMOL文件

CAS号：

199277-23-1

中文名称：

1-azido-2-(2-phenylethynyl)benzene

英文名称：

1-Azido-2-(phenylethynyl)benzene

分子式：

C₁₄H₉N₃

分子量：

219.241362333298

1-azido-2-(2-phenylethynyl)benzene(199277-23-1)名称与标识符

名称

中文别名：

1-azido-2-(2-phenylethynyl)benzene;

英文别名：

DTXCID30521930;199277-23-1;DTXSID90571158;1-Azido-2-(phenylethynyl)benzene;

标识符

InChIKey：

YKBGFFWGZZUUKZ-UHFFFAOYSA-N

Inchi：

1S/C14H9N3/c15-17-16-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H

SMILES：

N(C1C=CC=CC=1C#CC1C=CC=CC=1)=[N+]=[N-]

1-azido-2-(2-phenylethynyl)benzene(199277-23-1)物化性质

计算特性

精确分子量 : 219.079647300Da
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 219.079647300Da
重原子数量 : 17
复杂度 : 350
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） : 4.9
拓扑分子极性表面积 : 14.4Å²

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199277-23-1 (1-azido-2-(2-phenylethynyl)benzene,1-Azido-2-(phenylethynyl)benzene)

1-azido-2-(2-phenylethynyl)benzene(199277-23-1)名称与标识符

名称

标识符

1-azido-2-(2-phenylethynyl)benzene(199277-23-1)物化性质

计算特性

1-azido-2-(2-phenylethynyl)benzene(199277-23-1)相关文献

目录