| CAS Number | 951806-14-7 |
| Catalog Number | AG01A9RV(AGN-PC-0WO0T3) |
| Chemical Name | 4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline |
| IUPAC Name | 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline |
| InChI | InChI=1S/C9H6F3N3O/c10-9(11,12)8-14-7(15-16-8)5-1-3-6(13)4-2-5/h1-4H,13H2 |
| InChI Key | PXUUTRRMFPULDM-UHFFFAOYSA-N |
| MDL Number | MFCD12191347 |
| Molecular Formula | C9H6F3N3O |
| Molecular Weight | 229.1586 |
| SMILES | Nc1ccc(cc1)c1noc(n1)C(F)(F)F |
| Synonyms | 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]aniline,
951806-14-7,
AC1Q51VI,
SCHEMBL2700032,
PXUUTRRMFPULDM-UHFFFAOYSA-N,
ZINC35696911,
AKOS008132318,
MCULE-3636600993,
NE57912,
EN300-65972,
Z234897027,
4-(5-trifluoromethyl-[1,2,4]oxadiazol-3-yl)phenylamine,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.162g/mol |
| Monoisotopic Mass | 229.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number