| CAS Number | 1698970-59-0 |
| Catalog Number | AG01BCRG(AGN-PC-0WOU0Q) |
| Chemical Name | 2-cyclopropyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid |
| IUPAC Name | 2-cyclopropyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C8H7F2NO3/c9-6(10)4-5(8(12)13)14-7(11-4)3-1-2-3/h3,6H,1-2H2,(H,12,13) |
| InChI Key | LAJCLOGFJXURPG-UHFFFAOYSA-N |
| MDL Number | MFCD28012286 |
| Molecular Formula | C8H7F2NO3 |
| Molecular Weight | 203.1429 |
| SMILES | OC(C1=C(C(F)F)N=C(C2CC2)O1)=O |
| Synonyms | 2-cyclopropyl-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid,
1698970-59-0,
ZINC96300554,
AKOS026743515,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.145g/mol |
| Monoisotopic Mass | 203.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number