| CAS Number | 21717-99-7 |
| Catalog Number | AG01APS1(AGN-PC-09LEZ3) |
| Chemical Name | ethyl 5-(4-fluorophenyl)-1,3-oxazole-2-carboxylate |
| IUPAC Name | ethyl 5-(4-fluorophenyl)-1,3-oxazole-2-carboxylate |
| InChI | InChI=1S/C12H10FNO3/c1-2-16-12(15)11-14-7-10(17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3 |
| InChI Key | LDOGOQBEYDOXAT-UHFFFAOYSA-N |
| MDL Number | MFCD21091664 |
| Molecular Formula | C12H10FNO3 |
| Molecular Weight | 235.2111 |
| SMILES | FC1=CC=C(C=C1)C1=CN=C(O1)C(=O)OCC |
| Synonyms | ethyl 5-(4-fluorophenyl)-1,3-oxazole-2-carboxylate,
21717-99-7,
SCHEMBL6819068,
LDOGOQBEYDOXAT-UHFFFAOYSA-N,
ZINC61957832,
AKOS015956184,
F1967-0886,
5-(4-fluoro-phenyl)-oxazole-2-carboxylic acid ethyl ester,
5-(4-fluorophenyl)-oxazole-2-carboxylic acid ethyl ester,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.214g/mol |
| Monoisotopic Mass | 235.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number