uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09308204B2
查看IDENTITY
结构与身份
- 标准SMILES
- CCOc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1
- InChIKey
- OEURLNJEQCLGPS-UHFFFAOYSA-N
- 分子式
- C15H12BrClO2
- 平均分子量
- 339.61 g/mol
- 单同位素质量
- 337.97092
COMPUTED
结构计算性质
- XLogP
- 4.9
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 4
- 重原子
- 19
- 形式电荷
- 0
- 复杂度
- 303
ALIASES
名称与别名
(5-BROMO-2-CHLOROPHENYL)(4-ETHOXYPHENYL)METHANONE461432-22-4DTXSID30434334RefChem:69591DTXCID80385160Methanone, (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-C15H12BrClO2MFCD11044417(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone5-Bromo-2-chloro-4 inverted exclamation mark -ethoxybenzophenone5-bromo-2-chloro-4'-ethoxybenzophenoneMethanone, (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)- (9CI, ACI); (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone (ACI); (2-Chloro-5-bromophenyl)(4-ethoxyphenyl)methanone(5-bromo-2-chloro-phenyl)-(4-ethoxyphenyl)methanoneK8AZN8C32DSCHEMBL17019SCHEMBL29809563OEURLNJEQCLGPS-UHFFFAOYSA-NCS-B0022AKOS009476100AC-27004
REACTIONS
参与反应
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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