| CAS Number | 1627894-70-5 |
| Catalog Number | AG01DVS8 |
| Chemical Name | 2-(Difluoromethyl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C5H3F2NO3/c6-3(7)4-8-2(1-11-4)5(9)10/h1,3H,(H,9,10) |
| InChI Key | PCMYMMDQSRAGMU-UHFFFAOYSA-N |
| MDL Number | MFCD28552100 |
| Molecular Formula | C5H3F2NO3 |
| Molecular Weight | 163.0790 |
| SMILES | OC(C1N=C(C(F)F)OC=1)=O |
| Synonyms | 2-(difluoromethyl)-1,3-oxazole-4-carboxylic acid,
1627894-70-5,
SCHEMBL16011713,
ZINC213832406,
|
| 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