uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841330B2
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)NC(=O)c1cc(Cl)ccn1
- InChIKey
- HTSYGJDVLDXZEN-UHFFFAOYSA-N
- 分子式
- C9H11ClN2O
- 平均分子量
- 198.65 g/mol
- 单同位素质量
- 198.0559907
COMPUTED
结构计算性质
- XLogP
- 1.9
- 极性表面积
- 42 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 184
ALIASES
名称与别名
604813-08-34-Chloro-N-isopropylpicolinamide4-Chloro-N-isopropyl-pyridine-2-carboxamide4-chloro-N-propan-2-ylpyridine-2-carboxamide4-chloro-n-isopropylpyridine-2-carboxamide4-chloro-N-isopropyl-2-pyridinecarboxamide5U976Y556ZUNII-5U976Y556ZPyridine-2-carboxamide, 4-chloro-N-isopropyl-4-chloro-N-(propan-2-yl)pyridine-2-carboxamideSCHEMBL178048DTXSID50209223HTSYGJDVLDXZEN-UHFFFAOYSA-NMFCD08705679AKOS008981803CS-0290712N-ISOPROPYL-4-CHLORO-2-PYRIDINECARBOXAMIDE2-Pyridinecarboxamide, 4-chloro-N-(1-methylethyl)-A1-07215Q27262885
REACTIONS
相关反应
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