HCID13772927

2,3-Dichloro-1,4-dimethyl-5-nitrobenzene

C8H7Cl2NO2220.05 g/molCAS 89749-35-9

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IDENTITY

结构与身份

标准SMILES: Cc1cc([N+](=O)[O-])c(C)c(Cl)c1Cl
InChIKey: DOVNYHFNNRSSEJ-UHFFFAOYSA-N
分子式: C8H7Cl2NO2
平均分子量: 220.05 g/mol
单同位素质量: 218.9853839

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 45.8 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 207

ALIASES

名称与别名

共 9 条

89749-35-92,3-Dichloro-1,4-dimethyl-5-nitrobenzeneSCHEMBL8658889DTXSID80548990DOVNYHFNNRSSEJ-UHFFFAOYSA-N2,5-dimethyl-3,4-dichloronitrobenzene3,4-dichloro-2,5-dimethylnitrobenzene3,6-dimethyl-4,5-dichloronitrobenzene3,4-dichloro-2,5-dimethyl-1-nitrobenzene

REACTIONS

参与反应

13 条

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05420163

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

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uspto-grants-1994_03 · 10.6084/m9.figshare.5104873.v1 · US05292937

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1992_08 · 10.6084/m9.figshare.5104873.v1 · US05135953

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uspto-grants-1992_06 · 10.6084/m9.figshare.5104873.v1 · US05123951

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uspto-grants-1987_01 · 10.6084/m9.figshare.5104873.v1 · US04638088

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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