HCID25140

4-Chloro-3-nitroanisole

1-chloro-4-methoxy-2-nitrobenzene

C7H6ClNO3187.58 g/molCAS 10298-80-3

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: HISHUMDTGXICEZ-UHFFFAOYSA-N
分子式: C7H6ClNO3
平均分子量: 187.58 g/mol
单同位素质量: 187.0036207

COMPUTED

结构计算性质

等待补全

XLogP: 2.2
极性表面积: 55.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 171

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 40 条

4-Chloro-3-nitroanisole1-Chloro-4-methoxy-2-nitrobenzeneBenzene, 1-chloro-4-methoxy-2-nitro-RefChem:521371Benzene, 1-chloro-4-methoxy-2-nitro-(9CI)233-674-110298-80-32-Chloro-5-methoxynitrobenzeneANISOLE, 4-CHLORO-3-NITRO-MFCD000070771-Chloro-4-methoxy-2-nitro-BenzeneNSC-47339Iguratimod Impurity 15EINECS 233-674-1NSC 47339BRN 0640872NSC 47339; 1-Chloro-4-methoxy-2-nitrobenzene; 2-Nitro-4-methoxychlorobenzeneNSC473394-chloro-3-nitroanisol4-chloro-3-nitro-anisole

REACTIONS

参与反应

43 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07425568B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384967B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 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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