≥90% 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 | CC1=CC(=CC(=C1OC(=O)N(C)C)C)C(=O)CS(=O)(=O)C2=CC=C(C=C2)F |
|---|---|
| IUPAC Name | [4-[2-(4-fluorophenyl)sulfonylacetyl]-2,6-dimethylphenyl] N,N-dimethylcarbamate |
| InChIKey | SQELVLVGSZGXAX-UHFFFAOYSA-N |
| INCHI | 1S/C19H20FNO5S/c1-12-9-14(10-13(2)18(12)26-19(23)21(3)4)17(22)11-27(24,25)16-7-5-15(20)6-8-16/h5-10H,11H2,1-4H3 |
| Isomeric SMILES | CC1=CC(=CC(=C1OC(=O)N(C)C)C)C(=O)CS(=O)(=O)C2=CC=C(C=C2)F |
| PubChem CID | 1488393 |
| Molecular Weight | 393.43 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzenesulfonyl compounds m-Xylenes Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Sulfones Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzenesulfonyl group - Benzoyl - Phenoxy compound - Aryl alkyl ketone - Xylene - M-xylene - Fluorobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Carbamic acid ester - Sulfonyl - Sulfone - Carbonic acid derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 393.400 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 393.105 Da |
| Monoisotopic Mass | 393.105 Da |
| Topological Polar Surface Area | 89.100 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 625.000 |
| 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 |
![4-{2-[(4-fluorophenyl)sulfonyl]acetyl}-2,6-dimethylphenyl N,N-dimethylcarbamate - ≥90% , CAS No.339112-17-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)