| CAS Number | 1211525-16-4 |
| Catalog Number | AG0094D1 |
| Chemical Name | 5-Bromo-4-(trifluoromethyl)-1,3-thiazole |
| IUPAC Name | 5-bromo-4-(trifluoromethyl)-1,3-thiazole |
| InChI | InChI=1S/C4HBrF3NS/c5-3-2(4(6,7)8)9-1-10-3/h1H |
| InChI Key | DALORIBDLDJPKC-UHFFFAOYSA-N |
| MDL Number | MFCD28681554 |
| Molecular Formula | C4HBrF3NS |
| Molecular Weight | 232.0216 |
| SMILES | BrC1=C(N=CS1)C(F)(F)F |
| Synonyms | 1211525-16-4,
5-bromo-4-(trifluoromethyl)-1,3-thiazole,
Thiazole, 5-bromo-4-(trifluoromethyl)-,
ZINC206850433,
5-Bromo-4-(trifluoromethyl)-Thiazole,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.018g/mol |
| Monoisotopic Mass | 230.897g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number