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≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | CN(C)S(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)C(=O)O)Cl |
|---|---|
| IUPAC Name | 2-chloro-4-[2-(dimethylsulfamoyl)phenyl]benzoic acid |
| InChIKey | CUJDYYKXRFEKKF-UHFFFAOYSA-N |
| INCHI | 1S/C15H14ClNO4S/c1-17(2)22(20,21)14-6-4-3-5-11(14)10-7-8-12(15(18)19)13(16)9-10/h3-9H,1-2H3,(H,18,19) |
| Isómeros SMILES | CN(C)S(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)C(=O)O)Cl |
| Peso molecular | 339.8 |
| Reaxy-Rn | 31006926 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31006926&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 | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorinated biphenyls |
| Alternative Parents | 2-halobenzoic acids Benzenesulfonamides Halobenzoic acids Benzoic acids Benzenesulfonyl compounds Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Chlorobenzenes Aryl chlorides Organosulfonamides Aminosulfonyl compounds Vinylogous halides Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorinated biphenyl - Benzenesulfonamide - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Vinylogous halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety. |
| External Descriptors | Not available |
| Peso molecular | 339.800 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 339.033 Da |
| Monoisotopic Mass | 339.033 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| 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 |