Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- Oc1cnc(-c2ccc(Br)cc2)nc1
- InChIKey
- AEBHYMIVEFXSKP-UHFFFAOYSA-N
- 分子式
- C10H7BrN2O
- 平均分子量
- 251.08 g/mol
- 单同位素质量
- 249.97418
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 46 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 175
ALIASES
名称与别名
2-(4-bromophenyl)pyrimidin-5-ol111336-11-92-(4-Bromophenyl)-5-hydroxypyrimidine2-(4-bromophenyl)-pyrimidine-5-olSCHEMBL3872582-(4-bromophenyl)-pyrimidin-5-ol2-(4-Bromophenyl)-5-pyrimidinol #AKOS0273911322-(4-bromophenyl)-5-hydroxy-pyrimidineDA-20174AB00122095-01
REACTIONS
参与反应
uspto-grants-2000_02 · 10.6084/m9.figshare.5104873.v1 · US06030546
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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101634B2
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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101634B2
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uspto-grants-1998_01 · 10.6084/m9.figshare.5104873.v1 · US05707547
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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