≥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 | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCSCC3=CC=CO3 |
|---|---|
| IUPAC Name | 3-(2-chloro-6-fluorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide |
| InChIKey | SBBGXCLWBYVDPQ-UHFFFAOYSA-N |
| INCHI | 1S/C18H16ClFN2O3S/c1-11-15(17(22-25-11)16-13(19)5-2-6-14(16)20)18(23)21-7-9-26-10-12-4-3-8-24-12/h2-6,8H,7,9-10H2,1H3,(H,21,23) |
| Isomeric SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCCSCC3=CC=CO3 |
| PubChem CID | 2780685 |
| Molecular Weight | 394.86 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Chlorobenzenes Aryl chlorides Aryl fluorides Furans Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Furan - Isoxazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 394.800 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 394.055 Da |
| Monoisotopic Mass | 394.055 Da |
| Topological Polar Surface Area | 93.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 476.000 |
| 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 |
![3-(2-Chloro-6-fluorophenyl)-N-{2-[(fur-2-ylmethyl)thio]ethyl}-5-methylisoxazole-4-carboxamide - ≥97% CAS No(680211-94-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C975643.jpg)