uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05622954
查看IDENTITY
结构与身份
- 标准SMILES
- O=CC(=O)c1ccc(Cl)cc1
- InChIKey
- XVVGBFGMWMOBLB-UHFFFAOYSA-N
- 分子式
- C8H5ClO2
- 平均分子量
- 168.57 g/mol
- 单同位素质量
- 167.9978071
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 34.1 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 159
物化、安全与法规信息正在同步。
ALIASES
名称与别名
(4-chlorophenyl)(oxo)acetaldehydeDTXSID80964479RefChem:1050415DTXCID8013921774996-21-82-(4-chlorophenyl)-2-oxoacetaldehyde4998-15-6(4-CHLORO-PHENYL)-OXO-ACETALDEHYDEp-chlorophenylglyoxal4-chlorophenylglyoxalMFCD03411516NSC1107802-(4-chlorophenyl)-2-oxo-acetaldehyde4-chloro-phenylglyoxalSCHEMBL1673734CHEMBL2354900XVVGBFGMWMOBLB-UHFFFAOYSA-N2-(4-chlorophenyl)-2-oxoethanalSBB0769162-oxo-2-(4-chlorophenyl)acetaldehyde
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看uspto-grants-1979_06 · 10.6084/m9.figshare.5104873.v1 · US04159375
查看uspto-grants-1990_01 · 10.6084/m9.figshare.5104873.v1 · US04894384
查看Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看uspto-grants-2009_03 · 10.6084/m9.figshare.5104873.v1 · US07504411B2
查看uspto-grants-1997_12 · 10.6084/m9.figshare.5104873.v1 · US05696259
查看uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08278343B2
查看