uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835475B2
查看
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C#N)CCCCBr
- InChIKey
- BBBNHHFFABZOEK-UHFFFAOYSA-N
- 分子式
- C8H14BrN
- 平均分子量
- 204.11 g/mol
- 单同位素质量
- 203.03096
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 23.8 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 4
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 131
物化、安全与法规信息正在同步。
ALIASES
名称与别名
6-Bromo-2,2-dimethylhexanenitrile53545-96-3DTXSID30405069RefChem:307352DTXCID203559236-bromo-2,2-dimethyl-hexanenitrile5-cyano-5-methyl-1-bromohexaneSCHEMBL9865385-cyano-5-methyl1-bromohexaneBBBNHHFFABZOEK-UHFFFAOYSA-N6-bromo-2,2-dimethylhexanonitrileMFCD00191844AKOS0252954336-Bromo-2,2-dimethylhexanenitrile, 97%DA-36505
REACTIONS
参与反应
uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872033B2
查看
Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看
uspto-grants-1999_05 · 10.6084/m9.figshare.5104873.v1 · US05900327
查看
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看
uspto-grants-2004_08 · 10.6084/m9.figshare.5104873.v1 · US06770259B2
查看
uspto-grants-2004_08 · 10.6084/m9.figshare.5104873.v1 · US06770259B2
查看