uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434743B2
查看IDENTITY
结构与身份
- 标准SMILES
- COC(=O)Cn1cc(Br)ccc1=O
- InChIKey
- VCMOARQLMCGDMD-UHFFFAOYSA-N
- 分子式
- C8H8BrNO3
- 平均分子量
- 246.06 g/mol
- 单同位素质量
- 244.96876
COMPUTED
结构计算性质
- XLogP
- 0.7
- 极性表面积
- 46.6 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 296
物化、安全与法规信息正在同步。
ALIASES
名称与别名
1040020-44-7methyl 2-(5-bromo-2-oxopyridin-1(2H)-yl)acetate(5-Bromo-2-oxo-2H-pyridin-1-yl)-acetic acid methyl esterMFCD11175721methyl 2-(5-bromo-2-oxopyridin-1-yl)acetateMethyl 2-[5-Bromo-2-oxopyridin-1(2H)-yl]acetateSCHEMBL13837880VCMOARQLMCGDMD-UHFFFAOYSA-NAKOS009015829SB30336AS-47533SY423584DB-171598CS-0341397methyl 2-(5-bromo-2-oxo-1-pyridyl)acetateF14160Methyl (5-bromo-2-oxo-1(2h)-pyridinyl)acetateF513156methyl2-(5-bromo-2-oxopyridin-1(2H)-yl)acetate
REACTIONS