| CAS Number | 1989683-19-3 |
| Catalog Number | AG01C5TD |
| Chemical Name | 3-[4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-3H-1,2,4-triazole hydrochloride |
| IUPAC Name | 4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;hydrochloride |
| InChI | InChI=1S/C11H7FN4S.ClH/c12-8-3-1-7(2-4-8)9-5-17-11(15-9)10-13-6-14-16-10;/h1-6H,(H,13,14,16);1H |
| InChI Key | MAZNYWHNBAGXHZ-UHFFFAOYSA-N |
| MDL Number | MFCD30342733 |
| Molecular Formula | C11H8ClFN4S |
| Molecular Weight | 282.7244 |
| SMILES | Cl.FC1=CC=C(C2NC(=C3N=NC=N3)SC=2)C=C1 |
| Synonyms | 3-[4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-2-ylidene]-3H-1,2,4-triazole hydrochloride,
1989683-19-3,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.721g/mol |
| Monoisotopic Mass | 282.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number