Cas no 447406-49-7 (2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER)

2-(4-TRIFLUOROMETHYL-PHENYL)-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER structure
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
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