| CAS Number | 1772777-01-1 |
| Catalog Number | AG019EU6 |
| Chemical Name | 4-Bromo-N-(3-bromophenyl)-2-fluorobenzenesulfonamide |
| IUPAC Name | 4-bromo-N-(3-bromophenyl)-2-fluorobenzenesulfonamide |
| InChI | InChI=1S/C12H8Br2FNO2S/c13-8-2-1-3-10(6-8)16-19(17,18)12-5-4-9(14)7-11(12)15/h1-7,16H |
| InChI Key | SWWQVDNSEJFEPC-UHFFFAOYSA-N |
| MDL Number | MFCD27824753 |
| Molecular Formula | C12H8Br2FNO2S |
| Molecular Weight | 409.0688 |
| SMILES | Brc1ccc(c(c1)F)S(=O)(=O)Nc1cccc(c1)Br |
| Synonyms | 4-BROMO-N-(3-BROMOPHENYL)-2-FLUOROBENZENESULFONAMIDE,
1772777-01-1,
ZINC96170881,
CS-0060410,
4-Bromo-N-(3-bromophenyl)-2-fluoro-benzenesulfonamide,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.861g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.067g/mol |
| Monoisotopic Mass | 406.863g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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