≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCl |
|---|---|
| IUPAC Name | 3-[1-(3-chloropropyl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole |
| InChIKey | NLSKESNFYRUZEB-UHFFFAOYSA-N |
| INCHI | 1S/C15H18ClFN2O/c16-6-1-7-19-8-4-11(5-9-19)15-13-3-2-12(17)10-14(13)20-18-15/h2-3,10-11H,1,4-9H2 |
| Isomeric SMILES | C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCl |
| PubChem CID | 11770934 |
| Molecular Weight | 296.77 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzisoxazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzisoxazoles |
| Alternative Parents | Aralkylamines Piperidines Benzenoids Aryl fluorides Isoxazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzisoxazole - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 296.770 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 296.109 Da |
| Monoisotopic Mass | 296.109 Da |
| Topological Polar Surface Area | 29.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 312.000 |
| 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-(1-(3-Chloropropyl)piperidin-4-yl)-6-fluorobenzo[d]isoxazole - ≥97% , CAS No.329977-73-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)