81686-44-4 (2,3-二氯-1-甲基-4-（丙-2-基）苯,2,3-dichloro-1-methyl-4-(propan-2-yl)benzene)

快速询单

结构式：

2,3-二氯-1-甲基-4-（丙-2-基）苯MOL文件

CAS号：

81686-44-4

中文名称：

2,3-二氯-1-甲基-4-（丙-2-基）苯

英文名称：

2,3-dichloro-1-methyl-4-(propan-2-yl)benzene

分子式：

C₁₀H₁₂Cl₂

分子量：

203.108281135559

2,3-二氯-1-甲基-4-（丙-2-基）苯(81686-44-4)名称与标识符

名称

英文别名：

2,3-dichloro-1-methyl-4-(propan-2-yl)benzene;Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)-;Dichloro-p-cymene;p-Cymene, dichloro-;2,3-dichloro-1-methyl-4-propan-2-ylbenzene;81686-44-4;DTXSID70231243;Dichloro-p-Cymen;SCHEMBL1462969;

标识符

InChIKey：

JIWVHJAIMWCERM-UHFFFAOYSA-N

Inchi：

1S/C10H12Cl2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6H,1-3H3

SMILES：

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

2,3-二氯-1-甲基-4-（丙-2-基）苯(81686-44-4)物化性质

计算特性

精确分子量 : 202.0316058g/mol
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 1
同位素质量 : 202.0316058g/mol
重原子数量 : 12
复杂度 : 145
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） : 4.7
拓扑分子极性表面积 : 0Å²

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81686-44-4 (2,3-二氯-1-甲基-4-（丙-2-基）苯,2,3-dichloro-1-methyl-4-(propan-2-yl)benzene)

2,3-二氯-1-甲基-4-（丙-2-基）苯(81686-44-4)名称与标识符

名称

标识符

2,3-二氯-1-甲基-4-（丙-2-基）苯(81686-44-4)物化性质

计算特性

2,3-二氯-1-甲基-4-（丙-2-基）苯(81686-44-4)相关文献

目录