uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732622B2
查看IDENTITY
结构与身份
- 标准SMILES
- COc1c(C)c(Br)c(OC)c2ccccc12
- InChIKey
- PWXIIJPKDYZUBN-UHFFFAOYSA-N
- 分子式
- C13H13BrO2
- 平均分子量
- 281.14 g/mol
- 单同位素质量
- 280.00989
COMPUTED
结构计算性质
- XLogP
- 4.2
- 极性表面积
- 18.5 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 234
物化、安全与法规信息正在同步。
ALIASES
名称与别名
53772-33-12-bromo-1,4-dimethoxy-3-methylnaphthaleneDTXSID90303335RefChem:256748DTXCID202544672-Bromo-1,4-dimethoxy-3-methyl-naphthalene2-Bromo-1,4-dimethoxy-3-methylnaphthalene; 2-Bromo-3-methyl-1,4-dimethoxynaphthalene; NSC 157901NSC157901Naphthalene,2-bromo-1,4-dimethoxy-3-methyl-SCHEMBL1507161CHEMBL3922570PWXIIJPKDYZUBN-UHFFFAOYSA-NMFCD12828652AKOS030240009NSC-1579012-bromo-1.4-dimethoxy-3-methylnaphthaleneDB-3135912-Bromo-1,4-dimethoxy-3-methyl?naphthaleneH61705
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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