| CAS Number | 1018166-17-0 |
| Catalog Number | AG019RX2(AGN-PC-0WO7F6) |
| Chemical Name | 5-(Difluoromethyl)-3-methyl-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 5-(difluoromethyl)-3-methyl-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C6H5F2NO3/c1-2-3(6(10)11)4(5(7)8)12-9-2/h5H,1H3,(H,10,11) |
| InChI Key | SZTOBRVCMIZRKS-UHFFFAOYSA-N |
| MDL Number | MFCD09859239 |
| Molecular Formula | C6H5F2NO3 |
| Molecular Weight | 177.1056 |
| SMILES | CC1C(C(O)=O)=C(C(F)F)ON=1 |
| Synonyms | 5-(difluoromethyl)-3-methyl-1,2-oxazole-4-carboxylic acid,
1018166-17-0,
5-(difluoromethyl)-3-methylisoxazole-4-carboxylic acid,
SBB026013,
STK352941,
ZINC12398339,
AKOS005168342,
MCULE-4847771259,
NE50497,
ST45134718,
Z1310777671,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.107g/mol |
| Monoisotopic Mass | 177.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number