uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846698B2
查看IDENTITY
结构与身份
- 标准SMILES
- Cn1cc(I)cn1
- InChIKey
- RSDRDHPLXWMTRJ-UHFFFAOYSA-N
- 分子式
- C4H5IN2
- 平均分子量
- 208 g/mol
- 单同位素质量
- 207.94975
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 17.8 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 7
- 形式电荷
- 0
- 复杂度
- 66
物化、安全与法规信息正在同步。
ALIASES
名称与别名
1-Methyl-4-iodo-1H-pyrazoleRefChem:434378626-785-54-Iodo-1-methyl-1H-pyrazole39806-90-14-iodo-1-methylpyrazole4-iodo-1-methyl-pyrazoleMFCD056638601H-Pyrazole, 4-iodo-1-methyl-N-methyl-4-iodopyrazole1-methyl-4-iodopyrazole1-methyl-4-iodo pyrazoleSCHEMBL360179SCHEMBL1638680SCHEMBL3975851SCHEMBL17023390DTXSID00370497RSDRDHPLXWMTRJ-UHFFFAOYSA-N1H-pyrazole, 4-iodo-1-methyl-;ALBB-013410
REACTIONS
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