Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Brc1ccc(-c2ncco2)cc1
- InChIKey
- LAPKDKRJQXERIR-UHFFFAOYSA-N
- 分子式
- C9H6BrNO
- 平均分子量
- 224.05 g/mol
- 单同位素质量
- 222.96328
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 26 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 145
ALIASES
名称与别名
2-(4-bromophenyl)oxazole176961-50-5DTXSID30454315RefChem:252055DTXCID204051342-(4-bromophenyl)-1,3-oxazole2-(4-BROMO-PHENYL)-OXAZOLEMFCD04973403OXAZOLE, 2-(4-BROMOPHENYL)-SCHEMBL1169590SCHEMBL5543070SCHEMBL5544434SCHEMBL27389838LAPKDKRJQXERIR-UHFFFAOYSA-NAKOS015835640AB21326SY023020DB-065169CS-0060218EN300-235239
REACTIONS
参与反应
uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06608095B2
查看uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949536B2
查看uspto-grants-2001_09 · 10.6084/m9.figshare.5104873.v1 · US06294558B1
查看uspto-grants-2009_10 · 10.6084/m9.figshare.5104873.v1 · US07605163B2
查看uspto-grants-2009_10 · 10.6084/m9.figshare.5104873.v1 · US07605163B2
查看uspto-grants-2004_04 · 10.6084/m9.figshare.5104873.v1 · US06727238B2
查看uspto-grants-2008_01 · 10.6084/m9.figshare.5104873.v1 · US07319099B2
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