uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05242936
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(Cl)c1cccnc1
- InChIKey
- ATBIAJXSKNPHEI-UHFFFAOYSA-N
- 分子式
- C6H4ClNO
- 平均分子量
- 141.55 g/mol
- 单同位素质量
- 140.9981414
COMPUTED
结构计算性质
- XLogP
- 1.3
- 极性表面积
- 30 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 116
ALIASES
名称与别名
Nicotinoyl chloride10400-19-83-Pyridinecarbonyl chloride7Y3X2E4XUGEINECS 233-863-9DTXSID40146214RefChem:165756DTXCID8068705233-863-9ATBIAJXSKNPHEI-UHFFFAOYSA-Npyridine-3-carbonyl chloridenicotinyl chloride hydrochloridenicotinoylchloride3-pyridylcarbonyl chlorideMFCD00464814NICOTINIC ACID CHLORIDEnicotinic chlorideNicotinoyl chloride #UNII-7Y3X2E4XUGSCHEMBL1414
REACTIONS
参与反应
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