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
- Cc1cc(Br)c(O)c(C(C)(C)C)c1
- InChIKey
- AKUQXFHQPACGKR-UHFFFAOYSA-N
- 分子式
- C11H15BrO
- 平均分子量
- 243.14 g/mol
- 单同位素质量
- 242.03063
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 20.2 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 173
物化、安全与法规信息正在同步。
ALIASES
名称与别名
1516-93-42-bromo-4-methyl-6-tert-butylphenolDTXSID80450968RefChem:257242DTXCID304017882-bromo-6-tert-butyl-4-methylphenol2-bromo-6-(tert-butyl)-4-methylphenolPhenol, 2-bromo-6-(1,1-dimethylethyl)-4-methyl-MFCD002331292-t-butyl-4-methyl-6-bromophenol2-bromo-6-t-butyl-p-cresolSCHEMBL1628174AKUQXFHQPACGKR-UHFFFAOYSA-N2-Bromo-6-(t-butyl)-4-methylphenolAKOS0241519112-bromo-6-tert-butyl-4-methyl-phenolAS-67387CS-0060009W17711F603158
REACTIONS
相关反应
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