| CAS Number | 1771023-28-9 |
| Catalog Number | AG019F0Q |
| Chemical Name | 4-Bromo-2-fluoro-N-(4-iodophenyl)-benzenesulfonamide |
| IUPAC Name | 4-bromo-2-fluoro-N-(4-iodophenyl)benzenesulfonamide |
| InChI | InChI=1S/C12H8BrFINO2S/c13-8-1-6-12(11(14)7-8)19(17,18)16-10-4-2-9(15)3-5-10/h1-7,16H |
| InChI Key | YUNSIGBWAIGCGO-UHFFFAOYSA-N |
| MDL Number | MFCD31652798 |
| Molecular Formula | C12H8BrFINO2S |
| Molecular Weight | 456.0693 |
| SMILES | O=S(C1=CC=C(Br)C=C1F)(NC2=CC=C(I)C=C2)=O |
| Synonyms | 4-bromo-2-fluoro-N-(4-iodophenyl)-benzenesulfonamide,
1771023-28-9,
CS-0059858,
4-Bromo-2-fluoro-n-(4-iodophenyl)benzenesulfonamide,
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| Complexity | 395 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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