Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)c1cc(I)c(O)c(CN)c1
- InChIKey
- SSEAPVMQZPKNQZ-UHFFFAOYSA-N
- 分子式
- C11H16INO
- 平均分子量
- 305.15 g/mol
- 单同位素质量
- 305.02766
COMPUTED
结构计算性质
- XLogP
- 3.3
- 极性表面积
- 46.3 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 190
物化、安全与法规信息正在同步。
ALIASES
名称与别名
58456-91-02-Aminomethyl-4-t-butyl-6-iodophenolMK-4472-(Aminomethyl)-4-(1,1-dimethylethyl)-6-iodophenolCB5LMS3SYKPhenol, 2-(aminomethyl)-4-(1,1-dimethylethyl)-6-iodo-DTXSID002071532-AMINOMETHYL-4-TERT-BUTYL-6-IODOPHENOLMK447RefChem:85391DTXCID001296442-aminomethyl-4-butyl-6-iodophenyl2-(aminomethyl)-4-tert-butyl-6-iodophenolPhenol,2-(aminomethyl)-4-(1,1-dimethylethyl)-6-iodo-MK 447SCHEMBL888409CHEMBL279581orb1709114SSEAPVMQZPKNQZ-UHFFFAOYSA-NICA45691
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04092414
查看uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04092414
查看uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04092414
查看uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04092414
查看uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04029816
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