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(C)cc1N
- InChIKey
- CXPJJDQQLXEYPM-UHFFFAOYSA-N
- 分子式
- C8H10BrN
- 平均分子量
- 200.08 g/mol
- 单同位素质量
- 198.99966
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 26 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 116
物化、安全与法规信息正在同步。
ALIASES
名称与别名
4-bromo-2,5-dimethylaniline30273-40-6DTXSID70429103RefChem:519133DTXCID703799374-bromo-2,5-dimethyl-phenylamineBENZENAMINE, 4-BROMO-2,5-DIMETHYL-MFCD07780642(4-Bromo-2,5-dimethylphenyl)amine4-bromo-2,5-dimethylphenylamine4-bromo-2,5-xylidine2-amino-5-bromo-p-xylene4-Bromo-25-dimethylanilineSCHEMBL272760CXPJJDQQLXEYPM-UHFFFAOYSA-NALBB-0105144-Bromo-2 pound not5-dimethylanilineAKOS005146844FD10740PS-4950
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859574B2
查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06638646B2
查看uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06638646B2
查看uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07999137B2
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