| CAS Number | 1105193-32-5 |
| Catalog Number | AG01AQT1(AGN-PC-0WCNZX) |
| Chemical Name | 3-(6-Chloropyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole |
| IUPAC Name | 3-(6-chloropyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C8H3ClF3N3O/c9-5-2-1-4(3-13-5)6-14-7(16-15-6)8(10,11)12/h1-3H |
| InChI Key | YCZNZYRQOVINBE-UHFFFAOYSA-N |
| MDL Number | MFCD16653022 |
| Molecular Formula | C8H3ClF3N3O |
| Molecular Weight | 249.5771 |
| SMILES | FC(C1=NC(C2=CN=C(Cl)C=C2)=NO1)(F)F |
| Synonyms | 2-chloro-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine,
1105193-32-5,
SCHEMBL14917797,
ZINC26422632,
AKOS005207861,
MCULE-1689699883,
L-3907,
F2147-0174,
3-(6-chloropyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.991674g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.58g/mol |
| Monoisotopic Mass | 248.991674g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number