≥97% 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 | C1CC2(C(CC1O)COC3=C(C=CC(=C32)F)F)S(=O)(=O)C4=CC=C(C=C4)Cl |
|---|---|
| IUPAC Name | (6aR,8S,10aS)-10a-(4-chlorophenyl)sulfonyl-1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-8-ol |
| InChIKey | WTXUIYHQKGABGR-AGMRTUQYSA-N |
| INCHI | 1S/C19H17ClF2O4S/c20-12-1-3-14(4-2-12)27(24,25)19-8-7-13(23)9-11(19)10-26-18-16(22)6-5-15(21)17(18)19/h1-6,11,13,23H,7-10H2/t11-,13+,19+/m1/s1 |
| Isomeric SMILES | C1C[C@@]2([C@H](C[C@H]1O)COC3=C(C=CC(=C32)F)F)S(=O)(=O)C4=CC=C(C=C4)Cl |
| PubChem CID | 58950328 |
| Molecular Weight | 414.86 |
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 | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzopyrans |
| Alternative Parents | Benzenesulfonyl compounds Chlorobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Sulfones Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzopyran - Benzenesulfonyl group - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Sulfone - Sulfonyl - Secondary alcohol - Ether - Oxacycle - Organosulfur compound - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 414.900 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 414.05 Da |
| Monoisotopic Mass | 414.05 Da |
| Topological Polar Surface Area | 72.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 649.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
![(6aR,8S,10aS)-10a-((4-Chlorophenyl)sulfonyl)-1,4-difluoro-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-8-ol - ≥97% , CAS No.944949-06-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)