HCID524337

4-Tert-butyl-2-chloro-1-methylbenzene

C11H15Cl182.69 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(C(C)(C)C)cc1Cl
InChIKey: GPHQXTFRTJKHPI-UHFFFAOYSA-N
分子式: C11H15Cl
平均分子量: 182.69 g/mol
单同位素质量: 182.0862282

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 146

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1262

ALIASES

名称与别名

共 8 条

Benzene, 2-chloro-1-methyl-4-(1,1-dimethylethyl)42597-10-42-chloro-4-(1,1-dimethylethyl)-1-methylbenzene4-tert-butyl-2-chloro-1-methylbenzene4-t-butyl-2-chlorotolueneSCHEMBL799977DB-1925164-(1,1-Demethylethyl)-1-methyl-2-chlorobenzol

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08183271B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08183271B2

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