| CAS Number | 1711725-91-5 |
| Catalog Number | AG019EOO |
| Chemical Name | 4-Bromo-2-fluoro-N-(2-iodophenyl)-benzenesulfonamide |
| IUPAC Name | 4-bromo-2-fluoro-N-(2-iodophenyl)benzenesulfonamide |
| InChI | InChI=1S/C12H8BrFINO2S/c13-8-5-6-12(9(14)7-8)19(17,18)16-11-4-2-1-3-10(11)15/h1-7,16H |
| InChI Key | QJQDQTNSXYUROT-UHFFFAOYSA-N |
| MDL Number | MFCD27392065 |
| Molecular Formula | C12H8BrFINO2S |
| Molecular Weight | 456.0693 |
| SMILES | O=S(C1=CC=C(Br)C=C1F)(NC2=CC=CC=C2I)=O |
| Synonyms | 4-bromo-2-fluoro-N-(2-iodophenyl)-benzenesulfonamide,
1711725-91-5,
CS-0059857,
4-Bromo-2-fluoro-n-(2-iodophenyl)benzenesulfonamide,
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| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 454.849g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 456.068g/mol |
| Monoisotopic Mass | 454.849g/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 |
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Certificate of Analysis
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