| CAS Number | 1803583-11-0 |
| Catalog Number | AG01A6HP(AGN-PC-0WOMHA) |
| Chemical Name | 3-Bromo-4-(trifluoromethyl)thiophene |
| IUPAC Name | 3-bromo-4-(trifluoromethyl)thiophene |
| InChI | InChI=1S/C5H2BrF3S/c6-4-2-10-1-3(4)5(7,8)9/h1-2H |
| InChI Key | ONYOSFXRFQKHGM-UHFFFAOYSA-N |
| MDL Number | MFCD28397304 |
| Molecular Formula | C5H2BrF3S |
| Molecular Weight | 231.0336 |
| SMILES | FC(C1C(Br)=CSC=1)(F)F |
| Synonyms | 3-bromo-4-(trifluoromethyl)thiophene,
1803583-11-0,
3-Bromo-4-(trifluoromethyl)thiophen,
SCHEMBL13758207,
ZINC149197659,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.03g/mol |
| Monoisotopic Mass | 229.901g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number