| CAS Number | 2044712-87-8 |
| Catalog Number | AG01BVU7 |
| Chemical Name | ETHYL 2-AMINO-4-(DIFLUOROMETHYL)-1,3-OXAZOLE-5-CARBOXYLATE |
| IUPAC Name | ethyl 2-amino-4-(difluoromethyl)-1,3-oxazole-5-carboxylate |
| InChI | InChI=1S/C7H8F2N2O3/c1-2-13-6(12)4-3(5(8)9)11-7(10)14-4/h5H,2H2,1H3,(H2,10,11) |
| InChI Key | KTDPYJBYVHHHRI-UHFFFAOYSA-N |
| MDL Number | MFCD30486613 |
| Molecular Formula | C7H8F2N2O3 |
| Molecular Weight | 206.1468 |
| SMILES | CCOC(C1=C(C(F)F)N=C(N)O1)=O |
| Synonyms | ethyl 2-amino-4-(difluoromethyl)-1,3-oxazole-5-carboxylate,
2044712-87-8,
ZINC536948698,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.149g/mol |
| Monoisotopic Mass | 206.05g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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