| CAS Number | 944903-98-4 |
| Catalog Number | AG01B4TK |
| Chemical Name | Ethyl 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate |
| IUPAC Name | ethyl 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylate |
| InChI | InChI=1S/C6H5F3N2O3/c1-2-13-4(12)3-10-11-5(14-3)6(7,8)9/h2H2,1H3 |
| InChI Key | UEWHDKZLUMERPH-UHFFFAOYSA-N |
| MDL Number | MFCD10696748 |
| Molecular Formula | C6H5F3N2O3 |
| Molecular Weight | 210.1107 |
| SMILES | CCOC(C1OC(C(F)(F)F)=NN=1)=O |
| Synonyms | ETHYL 5-(TRIFLUOROMETHYL)-1,3,4-OXADIAZOLE-2-CARBOXYLATE,
944903-98-4,
ZINC95642146,
AB58068,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.112g/mol |
| Monoisotopic Mass | 210.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number