HCID3570093

4-Chloro-2-(dimethoxymethyl)-1-nitrobenzene

C9H10ClNO4231.63 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(OC)c1cc(Cl)ccc1[N+](=O)[O-]
InChIKey: IAUJGFVKHWXBFX-UHFFFAOYSA-N
分子式: C9H10ClNO4
平均分子量: 231.63 g/mol
单同位素质量: 231.0298355

COMPUTED

结构计算性质

等待补全

XLogP: 2
极性表面积: 64.3 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 217

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 9 条

2-nitro-5-chlorobenzaldehyde dimethyl acetal4-chloro-2-(dimethoxymethyl)-1-nitrobenzene13796-06-0SCHEMBL2928829IAUJGFVKHWXBFX-UHFFFAOYSA-N4-chloro-2-dimethoxymethyl-1-nitrobenzene4-Chloro-2-dimethoxymethyl-1-nitro-benzene5-chloro-2-nitrobenzaldehyde dimethylacetal5-chloro-2-nitro-benzaldehyde dimethylacetal

REACTIONS

参与反应

59 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 (9/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 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-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08383637B2

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