| CAS Number | 35488-61-0 |
| Catalog Number | AG01A4GT(AGN-PC-0O9939) |
| Chemical Name | 3-(Trifluoromethyl)-1,2,4-oxadiazol-5-amine |
| IUPAC Name | 3-(trifluoromethyl)-1,2,4-oxadiazol-5-amine |
| InChI | InChI=1S/C3H2F3N3O/c4-3(5,6)1-8-2(7)10-9-1/h(H2,7,8,9) |
| InChI Key | JLJOXFKBHBRFNH-UHFFFAOYSA-N |
| MDL Number | MFCD20697766 |
| Molecular Formula | C3H2F3N3O |
| Molecular Weight | 153.0627 |
| SMILES | NC1ON=C(C(F)(F)F)N=1 |
| Synonyms | 3-(trifluoromethyl)-1,2,4-oxadiazol-5-amine,
35488-61-0,
ZINC90225728,
AKOS017530210,
NE50029,
3-(Trifluoromethyl)-1,2,4-oxadiazole-5-amine,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.064g/mol |
| Monoisotopic Mass | 153.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number