HCID13011

2-Chloroanisole

1-chloro-2-methoxybenzene

C7H7ClO142.58 g/molCAS 766-51-8

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IDENTITY

结构与身份

标准SMILES: COc1ccccc1Cl
InChIKey: QGRPVMLBTFGQDQ-UHFFFAOYSA-N
分子式: C7H7ClO
平均分子量: 142.58 g/mol
单同位素质量: 142.0185425

COMPUTED

结构计算性质

等待补全

XLogP: 2.7
极性表面积: 9.2 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 85

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 56 条

2-ChloroanisoleO-CHLOROANISOLEBenzene, 1-chloro-2-methoxy-ortho-ChloroanisoleEINECS 212-167-9DTXSID1061104RefChem:86447DTXCID0047903212-167-9QGRPVMLBTFGQDQ-UHFFFAOYSA-N1-Chloro-2-methoxybenzene766-51-81-chloro-2-methoxy-benzeneAnisole, o-chloro-o-Chloromethoxybenzene2-Chlorophenol methyl ethero-Chlorophenyl methyl etherchloroanisoleMFCD00000557NSC 155175

REACTIONS

参与反应

65 条

750 AstraZeneca ELN dataset

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uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04150135

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841487B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1999_01 · 10.6084/m9.figshare.5104873.v1 · US05859257

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