| CAS Number | 1248449-30-0 |
| Catalog Number | AG01A58X |
| Chemical Name | 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C10H5BrFNO3/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15) |
| InChI Key | CSERUWCULLPIGW-UHFFFAOYSA-N |
| MDL Number | MFCD16726318 |
| Molecular Formula | C10H5BrFNO3 |
| Molecular Weight | 286.0540 |
| SMILES | OC(C1N=C(C2=C(F)C=C(Br)C=C2)OC=1)=O |
| Synonyms | 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylic acid,
1248449-30-0,
ZINC51075384,
AKOS011517275,
NE27454,
Z2216720467,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.056g/mol |
| Monoisotopic Mass | 284.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number