| CAS Number | 1209458-88-7 |
| Catalog Number | AG00956H |
| Chemical Name | 5-broMo-2-(trifluoroMethyl)thiazole |
| IUPAC Name | 5-bromo-2-(trifluoromethyl)-1,3-thiazole |
| InChI | InChI=1S/C4HBrF3NS/c5-2-1-9-3(10-2)4(6,7)8/h1H |
| InChI Key | BEFIZUOVAXMSPV-UHFFFAOYSA-N |
| MDL Number | MFCD14702781 |
| Molecular Formula | C4HBrF3NS |
| Molecular Weight | 232.0216 |
| SMILES | C1=C(SC(=N1)C(F)(F)F)Br |
| Synonyms | 5-BROMO-2-(TRIFLUOROMETHYL)THIAZOLE,
1209458-88-7,
5-BROMO-2-(TRIFLUOROMETHYL)-1,3-THIAZOLE,
SCHEMBL16427424,
BEFIZUOVAXMSPV-UHFFFAOYSA-N,
5-Bromo-2-(trifluoromethyl)thiazol,
MFCD14702781,
ZINC72193263,
AKOS015946532,
MB14234,
AS-41010,
5-Bromo-2-trifluoromethylthiazole,
|
| 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