3682-73-3 ((2H-Indazole, 2-(4-methylphenyl)-)

快速询单

结构式：

2H-Indazole, 2-(4-methylphenyl)-MOL文件

CAS号：

3682-73-3

英文名称：

2H-Indazole, 2-(4-methylphenyl)-

分子式：

C₁₄H₁₂N₂

分子量：

208.258482933044

2H-Indazole, 2-(4-methylphenyl)-(3682-73-3)名称与标识符

名称

英文别名：

2H-Indazole, 2-(4-methylphenyl)-;2-(4-methylphenyl)indazole;3682-73-3;2-(4-Methylphenyl)-2H-indazole;DTXSID60454282;SCHEMBL14005778;2-(p-Tolyl)-2H-indazole;2h-indazole,2-(4-methylphenyl)-;2-P-TOLYL-2H-INDAZOLE;MFCD20921677;

标识符

InChIKey：

NLTYZIXSXVXCKU-UHFFFAOYSA-N

Inchi：

1S/C14H12N2/c1-11-6-8-13(9-7-11)16-10-12-4-2-3-5-14(12)15-16/h2-10H,1H3

SMILES：

N1(C=C2C=CC=CC2=N1)C1C=CC(C)=CC=1

2H-Indazole, 2-(4-methylphenyl)-(3682-73-3)物化性质

计算特性

精确分子量 : 208.100048391g/mol
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 208.100048391g/mol
重原子数量 : 16
复杂度 : 233
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） : 3.6
拓扑分子极性表面积 : 17.8Å²

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3682-73-3 ((2H-Indazole, 2-(4-methylphenyl)-)

2H-Indazole, 2-(4-methylphenyl)-(3682-73-3)名称与标识符

名称

标识符

2H-Indazole, 2-(4-methylphenyl)-(3682-73-3)物化性质

计算特性

2H-Indazole, 2-(4-methylphenyl)-(3682-73-3)相关文献

目录