| CAS Number | 934188-80-4 |
| Catalog Number | AG01BTFO |
| Chemical Name | ethyl 5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylate |
| IUPAC Name | ethyl 5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C12H9F2NO3/c1-2-17-12(16)10-6-11(18-15-10)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3 |
| InChI Key | WYJPRVBFXLXFRG-UHFFFAOYSA-N |
| MDL Number | MFCD09749388 |
| Molecular Formula | C12H9F2NO3 |
| Molecular Weight | 253.2016 |
| SMILES | CCOC(C1=NOC(C2=C(F)C=C(F)C=C2)=C1)=O |
| Synonyms | 934188-80-4,
ethyl 5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylate,
SCHEMBL2032412,
5-isoxazole-3-carboxylicacidethylester,
5- -ISOXAZOLE-3-CARBOXYLICACIDETHYLESTER,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.205g/mol |
| Monoisotopic Mass | 253.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number