HCID12064

Benzene, 1,3-dichloro-5-nitro-

1,3-dichloro-5-nitrobenzene

C6H3Cl2NO2192 g/molCAS 618-62-2

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])c1cc(Cl)cc(Cl)c1
InChIKey: RNABGKOKSBUFHW-UHFFFAOYSA-N
分子式: C6H3Cl2NO2
平均分子量: 192 g/mol
单同位素质量: 190.9540837

COMPUTED

结构计算性质

等待补全

XLogP: 3.1
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: 11
形式电荷: 0
复杂度: 149

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 46 条

1,3-Dichloro-5-nitrobenzene3,5-Dichloronitrobenzene618-62-2Benzene, 1,3-dichloro-5-nitro-meta-Dichloronitrobenzenem-Dichloronitrobenzene3,5-DICHLORO-1-NITROBENZENE4VSD7Q7FUHNSC 53841EINECS 210-557-3NSC 60642NSC-53841NSC-60642DTXSID1060683EC 210-557-3RefChem:562290DTXCID5043134210-557-3MFCD00007211Benzene,3-dichloro-5-nitro-

REACTIONS

参与反应

23 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524722B2

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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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uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05652239

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uspto-grants-1979_10 · 10.6084/m9.figshare.5104873.v1 · US04172098

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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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uspto-grants-1977_10 · 10.6084/m9.figshare.5104873.v1 · US04053527

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