| CAS Number | 1771023-75-6 |
| Catalog Number | AG019EY9 |
| Chemical Name | 4-Bromo-N-(3,4-difluorophenyl)-2-fluorobenzenesulfonamide |
| IUPAC Name | 4-bromo-N-(3,4-difluorophenyl)-2-fluorobenzenesulfonamide |
| InChI | InChI=1S/C12H7BrF3NO2S/c13-7-1-4-12(11(16)5-7)20(18,19)17-8-2-3-9(14)10(15)6-8/h1-6,17H |
| InChI Key | XNIKDSSRLYCSAD-UHFFFAOYSA-N |
| MDL Number | MFCD28098728 |
| Molecular Formula | C12H7BrF3NO2S |
| Molecular Weight | 366.1537 |
| SMILES | Brc1ccc(c(c1)F)S(=O)(=O)Nc1ccc(c(c1)F)F |
| Synonyms | 4-BROMO-N-(3,4-DIFLUOROPHENYL)-2-FLUOROBENZENESULFONAMIDE,
1771023-75-6,
ZINC98071670,
CS-0060334,
4-Bromo-N-(3,4-difluorophenyl)-2-fluoro-benzenesulfonamide,
|
| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.152g/mol |
| Monoisotopic Mass | 364.933g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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