uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732448B2
查看IDENTITY
结构与身份
- 标准SMILES
- Clc1ncnc(Cl)c1Cl
- InChIKey
- AUWPHGWEYHEAIG-UHFFFAOYSA-N
- 分子式
- C4HCl3N2
- 平均分子量
- 183.42 g/mol
- 单同位素质量
- 181.920531
COMPUTED
结构计算性质
- XLogP
- 2.8
- 极性表面积
- 25.8 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 89
物化、安全与法规信息正在同步。
ALIASES
名称与别名
4,5,6-Trichloropyrimidine1780-27-4DTXSID20290123RefChem:96404DTXCID50241269605-816-6Pyrimidine, 4,5,6-trichloro-MFCD08458457NSC669024,5,6 trichloropyrimidineSCHEMBL83499SCHEMBL1197625CHEMBL1965328NSC 66902NSC-66902AKOS005259919AC-2411CS-W017036PS-3884SB57790
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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