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
- Clc1ccc(OCc2ccccc2)c(I)n1
- InChIKey
- ZRERKABNZFTBOO-UHFFFAOYSA-N
- 分子式
- C12H9ClINO
- 平均分子量
- 345.56 g/mol
- 单同位素质量
- 344.94174
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 22.1 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 3
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 211
ALIASES
名称与别名
3-(benzyloxy)-6-chloro-2-iodopyridine690261-53-1SCHEMBL718946ZRERKABNZFTBOO-UHFFFAOYSA-NDA-035686-Chloro-2-iodo-3-[(phenylmethyl)oxy]pyridineA1-77872
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07446222B2
查看uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07446222B2
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09265773B2
查看uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08436043B2
查看uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08436043B2
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