| CAS Number | 923825-01-8 |
| Catalog Number | AG019KCQ |
| Chemical Name | 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoic acid |
| IUPAC Name | 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoic acid |
| InChI | InChI=1S/C12H9F2NO3/c13-7-1-2-8(9(14)5-7)10-6-15-11(18-10)3-4-12(16)17/h1-2,5-6H,3-4H2,(H,16,17) |
| InChI Key | UXHQUUDVIZGIEK-UHFFFAOYSA-N |
| MDL Number | MFCD08691323 |
| Molecular Formula | C12H9F2NO3 |
| Molecular Weight | 253.2016 |
| SMILES | OC(CCC1OC(C2=C(F)C=C(F)C=C2)=CN=1)=O |
| Synonyms | 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoic acid,
923825-01-8,
AC1Q75A2,
CTK7J3183,
ZINC50107326,
AKOS000200959,
MCULE-6419380005,
NE23893,
NCGC00320660-01,
EN300-26401,
AB00764594-01,
AB00764594-03,
Z223639874,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.205g/mol |
| Monoisotopic Mass | 253.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number