HCID54032292

4-Dimethoxymethyl-2-fluoro-1-nitrobenzene

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

C9H10FNO4215.18 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(OC)c1ccc([N+](=O)[O-])c(F)c1
InChIKey: LGLJFTNRBXPVBV-UHFFFAOYSA-N
分子式: C9H10FNO4
平均分子量: 215.18 g/mol
单同位素质量: 215.05938596

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 64.3 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 217

ALIASES

名称与别名

共 6 条

SCHEMBL2490861SCHEMBL29465814LGLJFTNRBXPVBV-UHFFFAOYSA-N4-dimethoxymethyl-2-fluoro-1-nitrobenzene4-dimethoxymethyl-2-fluoro-1-nitro-benzene4-(dimethoxymethyl)-2-fluoro-1-nitro-benzene

REACTIONS

相关反应

20 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 (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 (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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