uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620979
查看IDENTITY
结构与身份
- 标准SMILES
- O=C1CNc2cc(Br)c(Cl)cc2N1
- InChIKey
- NRCTXTKTMJSSQQ-UHFFFAOYSA-N
- 分子式
- C8H6BrClN2O
- 平均分子量
- 261.5 g/mol
- 单同位素质量
- 259.9352
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 41.1 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 226
ALIASES
名称与别名
6-bromo-7-chloro-3,4-dihydroquinoxalin-2(1H)-one170098-93-86-bromo-7-chloro-3,4-dihydro-1H-quinoxalin-2-one6-bromo-7-chloro-1,2,3,4-tetrahydroquinoxalin-2-one6-Bromo-7-chloro-3,4-dihydroquinoxaline-2(1H)-oneSCHEMBL7786778NRCTXTKTMJSSQQ-UHFFFAOYSA-NDTXSID901238023MFCD27945973SY5155986-Bromo-7-chloro-3,4-dihydro-2(1H)-quinoxalinone
REACTIONS
参与反应
uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620979
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