| CAS Number | 1406294-50-5 |
| Catalog Number | AG019EWB |
| Chemical Name | 4-bromo-N-(2-chloro-4-iodophenyl)benzene-1-sulfonamide |
| IUPAC Name | 4-bromo-N-(2-chloro-4-iodophenyl)benzenesulfonamide |
| InChI | InChI=1S/C12H8BrClINO2S/c13-8-1-4-10(5-2-8)19(17,18)16-12-6-3-9(15)7-11(12)14/h1-7,16H |
| InChI Key | FPVQJULZKXSFHW-UHFFFAOYSA-N |
| MDL Number | MFCD18958558 |
| Molecular Formula | C12H8BrClINO2S |
| Molecular Weight | 472.5239 |
| SMILES | Clc1cc(I)ccc1NS(=O)(=O)c1ccc(Br)cc1 |
| Synonyms | 4-bromo-N-(2-chloro-4-iodophenyl)benzenesulfonamide,
1406294-50-5,
MFCD18958558,
ZINC80053684,
AKOS012730109,
CS-0060260,
4-Bromo-N-(2-chloro-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 | 470.819g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 472.519g/mol |
| Monoisotopic Mass | 470.819g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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