| CAS Number | 1965305-03-6 |
| Catalog Number | AG01F94B(AGN-PC-3H49CE) |
| Chemical Name | 2-(4-Trifluoromethoxyphenyl)-4-(3-pyridyl)thiazole |
| IUPAC Name | 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole |
| InChI | InChI=1S/C15H9F3N2OS/c16-15(17,18)21-12-5-3-10(4-6-12)14-20-13(9-22-14)11-2-1-7-19-8-11/h1-9H |
| InChI Key | DYMJCJAMAHAUJH-UHFFFAOYSA-N |
| MDL Number | MFCD28166214 |
| Molecular Formula | C15H9F3N2OS |
| Molecular Weight | 322.3050 |
| SMILES | FC(Oc1ccc(cc1)c1scc(n1)c1cccnc1)(F)F |
| Synonyms | 2-(4-Trifluoromethoxyphenyl)-4-(3-pyridyl)thiazole,
1965305-03-6,
ZINC219038976,
2-(4-Trifluoromethoxyphenyl)-4-(3-pyridyl)thiazole, AldrichCPR,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.305g/mol |
| Monoisotopic Mass | 322.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number