Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=[N+]([O-])c1cnc(Cl)c(Br)c1
- InChIKey
- PTTQIUHVDDBART-UHFFFAOYSA-N
- 分子式
- C5H2BrClN2O2
- 平均分子量
- 237.44 g/mol
- 单同位素质量
- 235.89882
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 58.7 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 163
物化、安全与法规信息正在同步。
ALIASES
名称与别名
3-Bromo-2-chloro-5-nitropyridine5470-17-7DTXSID70282513RefChem:93116DTXCID70233666640-176-12-chloro-3-bromo-5-nitropyridine3-Bromo-2-chloro-5-nitro-pyridineMFCD00233989Pyridine, 3-bromo-2-chloro-5-nitro-NSC26278SCHEMBL116805SCHEMBL3491271PTTQIUHVDDBART-UHFFFAOYSA-NCS-D0768NSC 26278NSC-26278SBB0653532 - Chloro-3-Bromo-5-NitropyridineAKOS000538774
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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