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
- CCOC(=O)c1c(C(F)(F)F)nc(C(F)(F)Cl)c(C(=O)OC)c1Cl
- InChIKey
- SAVGRHYDWAVFDF-UHFFFAOYSA-N
- 分子式
- C12H8Cl2F5NO4
- 平均分子量
- 396.09 g/mol
- 单同位素质量
- 394.9750539
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 65.5 Ų
- 氢键供体
- 0
- 氢键受体
- 10
- 可旋转键
- 6
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 491
ALIASES
名称与别名
3-Ethyl 5-methyl 4-chloro-6-(chlorodifluoromethyl)-2-(trifluoromethyl)-3,5-pyridinedicarboxylate
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04698093
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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04698093
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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04698093
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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04698093
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