Cas no 447406-49-7 (2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER)
447406-49-7 structure
Product Name:2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
CAS No:447406-49-7
MF:C13H10F3NO2S
MW:301.284212589264
CID:2101382
PubChem ID:21051249
Update Time:2025-04-21
2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
- Ethyl 2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylate
- ETHYL 2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-5-CARBOXYLATE
- SCHEMBL1661400
- ETHYL 2-(4-(TRIFLUOROMETHYL)PHENYL)THIAZOLE-5-CARBOXYLATE
- 447406-49-7
- AB41638
-
- MDL: MFCD07375303
- Inchi: 1S/C13H10F3NO2S/c1-2-19-12(18)10-7-17-11(20-10)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3
- InChI Key: NOJHFQOJLDFDKP-UHFFFAOYSA-N
- SMILES: S1C(C(=O)OCC)=CN=C1C1C=CC(C(F)(F)F)=CC=1
Computed Properties
- Exact Mass: 301.03843422Da
- Monoisotopic Mass: 301.03843422Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 67.4?2
2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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