Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(O)Cc1ccc(F)cc1Br
- InChIKey
- MJSGXOXCPKTZTK-UHFFFAOYSA-N
- 分子式
- C8H6BrFO2
- 平均分子量
- 233.03 g/mol
- 单同位素质量
- 231.95352
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 174
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2-bromo-4-fluorophenylacetic acid61150-59-2DTXSID60392837RefChem:466552DTXCID70343698813-672-22-(2-bromo-4-fluorophenyl)acetic acidMFCD04107675(2-bromo-4-fluorophenyl)acetic acid2-Bromo-4-fluorobenzeneacetic acidBenzeneacetic acid, 2-bromo-4-fluoro-2-(2-bromo-4-fluoro-phenyl)acetic AcidSCHEMBL909444SCHEMBL29814973MJSGXOXCPKTZTK-UHFFFAOYSA-NSBB0980232-(2-bromo-4-fluorophenyl)aceticacidAKOS000163479CS-W005090DS-0897
REACTIONS
参与反应
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