| CAS Number | 1803587-52-1 |
| Catalog Number | AG01BF7T |
| Chemical Name | methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate |
| IUPAC Name | methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C11H8FNO3/c1-15-11(14)9-6-10(16-13-9)7-3-2-4-8(12)5-7/h2-6H,1H3 |
| InChI Key | BCBSUOISLUHEAN-UHFFFAOYSA-N |
| MDL Number | MFCD28118514 |
| Molecular Formula | C11H8FNO3 |
| Molecular Weight | 221.1845 |
| SMILES | O=C(C1=NOC(C2=CC=CC(F)=C2)=C1)OC |
| Synonyms | methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate,
1803587-52-1,
ZINC98209785,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.187g/mol |
| Monoisotopic Mass | 221.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number