Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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结构与身份
- 标准SMILES
- CC(C)Oc1cccc2ccc(I)nc12
- InChIKey
- MTVLUPXIFPBVBE-UHFFFAOYSA-N
- 分子式
- C12H12INO
- 平均分子量
- 313.13 g/mol
- 单同位素质量
- 312.99636
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 22.1 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 210
ALIASES
名称与别名
2-iodo-8-isopropoxyquinoline648897-13-6SCHEMBL4449856DTXSID90728382MTVLUPXIFPBVBE-UHFFFAOYSA-N2-Iodo-8-[(propan-2-yl)oxy]quinolineDA-26088
REACTIONS
参与反应
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查看uspto-grants-2009_11 · 10.6084/m9.figshare.5104873.v1 · US07619091B2
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