5-[4-Nitro-2-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole
CAS N/A MFCD13193117
化学结构图
SMILES: [O-][N+](=O)C1C=C(C(=CC=1)C1=NNN=N1)C(F)(F)F
化学属性
| Mol. Weight | 259.15 |
|---|---|
| Melting Point | 60-61° |
| Mol. Formula | C8H4F3N5O2 |
别名和识别编码
| Chemical Name | 5-[4-Nitro-2-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazole |
|---|---|
| Alfabeta Name | NITROTRIFLUOROMETHYLPHENYLTETRAAZOLE H54221234[]()-------,,, |
| MDL Number | MFCD13193117 |
分类
- {KO} Nitros
安全信息
药物吸收、分布、代谢与排泄(ADME)
H-bond Donors
1
H-bond Acceptors
5
Lipinski's Rule of 5
Y
LogP
2
Rotatable Bonds
1
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