≥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 | C1CNCC2=C1ON=C2C3=CC(=CC=C3)F.Cl |
|---|---|
| IUPAC Name | 3-(3-fluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine;hydrochloride |
| InChIKey | VFIHWDZAUPOXIO-UHFFFAOYSA-N |
| INCHI | 1S/C12H11FN2O.ClH/c13-9-3-1-2-8(6-9)12-10-7-14-5-4-11(10)16-15-12;/h1-3,6,14H,4-5,7H2;1H |
| Isomeric SMILES | C1CNCC2=C1ON=C2C3=CC(=CC=C3)F.Cl |
| PubChem CID | 46736511 |
| Molecular Weight | 254.69 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Aralkylamines Aryl fluorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organooxygen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - Secondary aliphatic amine - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Aromatic heteropolycyclic 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 | 254.690 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 254.062 Da |
| Monoisotopic Mass | 254.062 Da |
| Topological Polar Surface Area | 38.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| 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 | 2 |
![3-(3-Fluoro-phenyl)-4,5,6,7-tetrahydro-isoxazolo-[4,5-c]pyridine hydrochloride - ≥97% , CAS No.1185294-15-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)