| CAS Number | 1895816-41-7 |
| Catalog Number | AG01DHAZ |
| Chemical Name | 4-Bromo-N-[4-fluoro-2-(trifluoromethyl)phenyl]-Benzenesulfonamide |
| IUPAC Name | 4-bromo-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide |
| InChI | InChI=1S/C13H8BrF4NO2S/c14-8-1-4-10(5-2-8)22(20,21)19-12-6-3-9(15)7-11(12)13(16,17)18/h1-7,19H |
| InChI Key | YVUMGYBHZJIBRY-UHFFFAOYSA-N |
| Molecular Formula | C13H8BrF4NO2S |
| Molecular Weight | 398.1707 |
| SMILES | Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C(F)(F)F)F |
| Synonyms | 4-Bromo-N-[4-fluoro-2-(trifluoromethyl)phenyl]-Benzenesulfonamide,
1895816-41-7,
ZINC228956090,
SC-56632,
4-Bromo-N-(4-fluoro-2-trifluoromethyl-phenyl)-benz,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.17g/mol |
| Monoisotopic Mass | 396.94g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number