for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)N)Br |
|---|---|
| IUPAC Name | 2-bromo-5-(trifluoromethyl)benzenesulfonamide |
| InChIKey | QEYFUGSQLUIFQY-UHFFFAOYSA-N |
| INCHI | 1S/C7H5BrF3NO2S/c8-5-2-1-4(7(9,10)11)3-6(5)15(12,13)14/h1-3H,(H2,12,13,14) |
| Isómeros SMILES | C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)N)Br |
| WGK Alemania | 3 |
| Peso molecular | 304.08 |
| Reaxy-Rn | 28676415 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28676415&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Trifluoromethylbenzenes Benzenesulfonyl compounds Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Organofluorides Organobromides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organofluoride - Organobromide - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Alkyl halide - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 304.090 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 302.918 Da |
| Monoisotopic Mass | 302.918 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 324.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
