≥98% 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(OCC2=C(O1)C=CC(=C2)C3CN(C(=O)O3)CCCCCCOCCOCC4=C(C=CC=C4Cl)Cl)C |
|---|---|
| IUPAC Name | (5R)-3-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one |
| InChIKey | XQWNKZGGCAFXHI-SANMLTNESA-N |
| INCHI | 1S/C28H35Cl2NO6/c1-28(2)35-18-21-16-20(10-11-25(21)37-28)26-17-31(27(32)36-26)12-5-3-4-6-13-33-14-15-34-19-22-23(29)8-7-9-24(22)30/h7-11,16,26H,3-6,12-15,17-19H2,1-2H3/t26-/m0/s1 |
| Isomeric SMILES | CC1(OCC2=C(O1)C=CC(=C2)[C@@H]3CN(C(=O)O3)CCCCCCOCCOCC4=C(C=CC=C4Cl)Cl)C |
| PubChem CID | 46833391 |
| Molecular Weight | 552.49 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxanes |
| Subclass | Benzo-1,3-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,3-dioxanes |
| Alternative Parents | Benzylethers Dichlorobenzenes Ketals Oxazolidinones Aryl chlorides Carbamate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,3-dioxane - Benzylether - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Ketal - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Oxazolidine - Carbamic acid ester - Ether - Dialkyl ether - Acetal - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring. |
| External Descriptors | Not available |
| Molecular Weight | 552.500 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 13 |
| Exact Mass | 551.184 Da |
| Monoisotopic Mass | 551.184 Da |
| Topological Polar Surface Area | 66.500 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 702.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
