3-(3-三氟甲基苯基)-1H-吡唑-5-羧酸乙酯 | 93618-46-3
3-(3-三氟甲基苯基)-1H-吡唑-5-羧酸乙酯
1H-Pyrazole-3-carboxylicacid, 5-[3-(trifluoromethyl)phenyl]-, ethyl ester
93618-46-3
C13H11F3N2O2
284.233853578568
名称和标识符
MDL |
MFCD11046185 |
InChIKey |
QZBSWLGAOQQJNN-UHFFFAOYSA-N |
Inchi |
InChI=1S/C13H11F3N2O2/c1-2-20-12(19)11-7-10(17-18-11)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3,(H,17,18) |
SMILES |
CCOC(=O)C1=NNC(=C1)C2=CC(=CC=C2)C(F)(F)F |
别名信息
- 中文别名 -
- 3-(3-三氟甲基苯基)-1H-吡唑-5-羧酸乙酯
- 英文别名 -
- 1H-Pyrazole-3-carboxylicacid, 5-[3-(trifluoromethyl)phenyl]-, ethyl ester
- 3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
- Ethyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
- QZBSWLGAOQQJNN-UHFFFAOYSA-N
- cid_2422649
- MFCD11046185
- AKOS027339396
- MLS-0092005.0001
- Z56920221
- 3-(3-TRIFLUORO METHYL-PHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
- HMS1788E11
- 3-(3-TRIFLUORO METHYL-PHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER,95+%
- BDBM45852
- 93618-46-3
- ethyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
- ETHYL3-(3-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOLE-5-CARBOXYLATE
- SCHEMBL1413881
- ethyl 5-[3-(trifluoromethyl)phenyl]-1h-pyrazole-3-carboxylate
- ETHYL 3-(3-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOLE-5-CARBOXYLATE
- CHEMBL1558909
物化性质
实验特性
折射率 |
1.516 |
沸点 |
426.7°C at 760 mmHg |
闪点 |
211.9°C |
密度 |
1.327 |
计算特性
精确分子量 |
284.07726208g/mol |
氢键供体数量 |
1 |
氢键受体数量 |
4 |
可旋转化学键数量 |
5 |
同位素质量 |
284.07726208g/mol |
重原子数量 |
20 |
复杂度 |
349 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
3.3 |
拓扑分子极性表面积 |
55Ų |