| CAS Number | 1346526-84-8 |
| Catalog Number | AG01DL1K |
| Chemical Name | benzyl 4-methyl-2-(trifluoromethyl)oxazole-5-carboxylate |
| IUPAC Name | benzyl 4-methyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate |
| InChI | InChI=1S/C13H10F3NO3/c1-8-10(20-12(17-8)13(14,15)16)11(18)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChI Key | KJPOLAQGBBIMJP-UHFFFAOYSA-N |
| MDL Number | MFCD22573705 |
| Molecular Formula | C13H10F3NO3 |
| Molecular Weight | 285.2186 |
| SMILES | CC1=C(OC(=N1)C(F)(F)F)C(=O)OCC1=CC=CC=C1 |
| Synonyms | BENZYL 4-METHYL-2-(TRIFLUOROMETHYL)OXAZOLE-5-CARBOXYLATE,
1346526-84-8,
MFCD22573705,
AS-37519,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.222g/mol |
| Monoisotopic Mass | 285.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number