| CAS Number | 1060815-99-7 |
| Catalog Number | AG01A4EY |
| Chemical Name | Ethyl 2-(trifluoromethyl)-1,3-oxazole-4-carboxylate |
| IUPAC Name | ethyl 2-(trifluoromethyl)-1,3-oxazole-4-carboxylate |
| InChI | InChI=1S/C7H6F3NO3/c1-2-13-5(12)4-3-14-6(11-4)7(8,9)10/h3H,2H2,1H3 |
| InChI Key | WLTXOCFHAKNLBB-UHFFFAOYSA-N |
| MDL Number | MFCD11976753 |
| Molecular Formula | C7H6F3NO3 |
| Molecular Weight | 209.1226 |
| SMILES | CCOC(C1N=C(C(F)(F)F)OC=1)=O |
| Synonyms | ethyl 2-(trifluoromethyl)-1,3-oxazole-4-carboxylate,
1060815-99-7,
ETHYL 2-(TRIFLUOROMETHYL)OXAZOLE-4-CARBOXYLATE,
SCHEMBL12301539,
ZINC88189928,
AB65131,
NE51952,
SC-14401,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.124g/mol |
| Monoisotopic Mass | 209.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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