uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05648373
查看IDENTITY
结构与身份
- 标准SMILES
- c1ccc(-c2c[nH]nc2-c2ccccc2)cc1
- InChIKey
- MQWYZELNDPRANJ-UHFFFAOYSA-N
- 分子式
- C15H12N2
- 平均分子量
- 220.27 g/mol
- 单同位素质量
- 220.10004839
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 28.7 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 229
ALIASES
名称与别名
3,4-Diphenylpyrazole3,4-Diphenyl-1H-pyrazole1H-Pyrazole, 3,4-diphenyl-Pyrazole, 3,4-diphenyl-DTXSID50306802Pyrazole, 3,4(or 4,5)-diphenyl-RefChem:91239DTXCID30257929MQWYZELNDPRANJ-UHFFFAOYSA-N4,5-diphenyl-1H-pyrazole24567-08-6NSC 179823NSC179823Pyrazole,4-diphenyl-1H-Pyrazole,4-diphenyl-3,4-diphenyl-lH-pyrazole4,5-diphenyl-lH-pyrazoleSCHEMBL218119SCHEMBL1386378SCHEMBL5248907
REACTIONS
参与反应
uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05648373
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