1H-Pyrrole,2-[(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl- | 2534-93-2
1H-Pyrrole,2-[(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl-
2534-93-2
C13H16N2
233.18700
名称和标识符
InChIKey |
UYZDJWAAXREYDP-BUHFOSPRSA-N |
Inchi |
InChI=1S/C12H10N2O3/c15-8-5-6-10(12(17)7-8)14-13-9-3-1-2-4-11(9)16/h1-7,15-17H/b14-13+ |
SMILES |
OC1=CC=C(/N=N/C2=CC=CC=C2O)C(O)=C1 |
别名信息
- 英文别名 -
- 1H-Pyrrole,2-[(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl-
- ETHYL M-TRIFLUOROMETHYLCARBANILATE
- ETHYL M-TRIFLUOROMETHYLCARBANILATE ---WHITE CRYSTALS---
- 1,3,7,9-tetramethyldipyrrin
- 3,3',5,5'-Tetramethyl-2,2'-dipyrryl-methen
- 3,5,3',5'-tetramethyl-1H,2'H-2,2'-methanylylidene-bis-pyrrole
- Ethyl 3-(trifluoromethyl)phenylcarbamate
- NSC 51605
- AKOS002221463
- MFCD00018026
- NSC-51605
- 2354-93-0
- F1738-0004
- ethyl [3-(trifluoromethyl)phenyl]carbamate
- Ethyl 3-(trifluoromethyl)carbanilate
- ethyl N-[3-(trifluoromethyl)phenyl]carbamate
- ethyl (3-(trifluoromethyl)phenyl)carbamate
- Ethyl m-trifluoromethylcarbanilate
- DTXSID10178123
- Ethyl 3-(trifluoromethyl)phenylcarbamate #
- 2534-93-2
- FT-0626209
- NSC51605
- SCHEMBL7565660
- CARBAMIC ACID,[3-(TRIFLUOROMETHYL)PHENYL]-, ETHYL ESTER (9CI)
物化性质
实验特性
LogP |
3.34680 |
PSA |
38.33000 |
沸点 |
217°Cat760mmHg |
闪点 |
85°C |
密度 |
1.303 |
计算特性
精确分子量 |
233.06600 |
氢键供体数量 |
1 |
氢键受体数量 |
5 |
可旋转化学键数量 |
3 |
同位素质量 |
233.06636305g/mol |
重原子数量 |
16 |
复杂度 |
243 |
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) |
3.1 |
拓扑分子极性表面积 |
38.3Ų |