| CAS Number | 1785023-01-9 |
| Catalog Number | AG01B6GS |
| Chemical Name | 5-(Difluoromethyl)-1,2-oxazole-3-carboxylic acid |
| IUPAC Name | 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C5H3F2NO3/c6-4(7)3-1-2(5(9)10)8-11-3/h1,4H,(H,9,10) |
| InChI Key | KZIBZKQKQUTVFS-UHFFFAOYSA-N |
| MDL Number | MFCD28516955 |
| Molecular Formula | C5H3F2NO3 |
| Molecular Weight | 163.0790 |
| SMILES | OC(C1=NOC(C(F)F)=C1)=O |
| Synonyms | 5-(difluoromethyl)-1,2-oxazole-3-carboxylic acid,
1785023-01-9,
AKOS024052322,
ZINC212143739,
F1913-0096,
Z2583036316,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.08g/mol |
| Monoisotopic Mass | 163.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number