| CAS Number | 901926-82-7 |
| Catalog Number | AG01FPT8(AGN-PC-3H5P4O) |
| Chemical Name | 3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-(2,4-difluorophenyl)-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C10H5F2NO3/c11-5-1-2-6(7(12)3-5)8-4-9(10(14)15)16-13-8/h1-4H,(H,14,15) |
| InChI Key | KSVDLUJUAIVOLU-UHFFFAOYSA-N |
| MDL Number | MFCD07701209 |
| Molecular Formula | C10H5F2NO3 |
| Molecular Weight | 225.1484 |
| SMILES | Fc1ccc(c(c1)F)c1noc(c1)C(=O)O |
| Synonyms | SCHEMBL19814461,
3-(2,4-Difluorophenyl)isoxazole-5-carboxylic acid,
901926-82-7,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.023749g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.15g/mol |
| Monoisotopic Mass | 225.023749g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number