HCID23053

2-Chloro-6-methylbenzonitrile

C8H6ClN151.59 g/molCAS 6575-09-3

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IDENTITY

结构与身份

标准SMILES: Cc1cccc(Cl)c1C#N
InChIKey: WQWQHJNUHQEGTN-UHFFFAOYSA-N
分子式: C8H6ClN
平均分子量: 151.59 g/mol
单同位素质量: 151.0188769

COMPUTED

结构计算性质

等待补全

XLogP: 2.6
极性表面积: 23.8 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 158

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 39 条

2-CHLORO-6-METHYLBENZONITRILE6575-09-3Benzonitrile, 2-chloro-6-methyl-2-Cyano-3-chlorotoluene3-Chloro-2-toluonitrileo-Tolunitrile, 6-chloro-EINECS 229-499-541M65JIW54NSC-80657UNII-41M65JIW54AI3-34983DTXSID3022241NSC 80657RefChem:86351DTXCID202241InChI=1/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1HWQWQHJNUHQEGTN-UHFFFAOYSA-NMFCD000017822-chloro-6-methyl-benzonitrile2-chloro-6-methylbenzenecarbonitrile

REACTIONS

参与反应

22 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05616718

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09439890B2

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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 (2/10) · 10.1039/C8SC04228D

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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 (9/10) · 10.1039/C8SC04228D

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uspto-grants-1977_04 · 10.6084/m9.figshare.5104873.v1 · US04017631

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uspto-grants-1999_02 · 10.6084/m9.figshare.5104873.v1 · US05874579

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