≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CS(=O)(=O)C1=C(C=C(C=C1)[C@@H](CC2CCCC2=O)C(=O)O)Cl |
|---|---|
| IUPAC Name | (2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-(2-oxocyclopentyl)propanoic acid |
| InChIKey | PGXGGUSHFUXQHF-RRKGBCIJSA-N |
| INCHI | 1S/C15H17ClO5S/c1-22(20,21)14-6-5-9(8-12(14)16)11(15(18)19)7-10-3-2-4-13(10)17/h5-6,8,10-11H,2-4,7H2,1H3,(H,18,19)/t10?,11-/m1/s1 |
| Molecular Weight | 344.800 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Chlorobenzenes Aryl chlorides Sulfones Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfonyl - Sulfone - Cyclic ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
| Molecular Weight | 344.800 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 344.049 Da |
| Monoisotopic Mass | 344.049 Da |
| Topological Polar Surface Area | 96.900 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 539.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
