| CAS Number | 166964-41-6 |
| Catalog Number | AG01AF5M(AGN-PC-0WOAJY) |
| Chemical Name | 4-Ethyl-3-(trifluoromethyl)-1,2-oxazol-5-amine |
| IUPAC Name | 4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C6H7F3N2O/c1-2-3-4(6(7,8)9)11-12-5(3)10/h2,10H2,1H3 |
| InChI Key | AVUHGIKLRUJOBA-UHFFFAOYSA-N |
| MDL Number | MFCD11558715 |
| Molecular Formula | C6H7F3N2O |
| Molecular Weight | 180.1278 |
| SMILES | CCC1C(C(F)(F)F)=NOC=1N |
| Synonyms | 4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-amine,
166964-41-6,
SCHEMBL7856794,
AVUHGIKLRUJOBA-UHFFFAOYSA-N,
ZINC26512552,
AKOS009860488,
NE23203,
5-amino-4-ethyl-3-trifluoromethylisoxazole,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.13g/mol |
| Monoisotopic Mass | 180.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number