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≥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 | CC1=CC(=C(N1C2=NC=C(C=C2)F)C)C(=O)CCl |
|---|---|
| IUPAC Name | 2-chloro-1-[1-(5-fluoropyridin-2-yl)-2,5-dimethylpyrrol-3-yl]ethanone |
| InChIKey | IXEUAQWUJDOUPX-UHFFFAOYSA-N |
| INCHI | 1S/C13H12ClFN2O/c1-8-5-11(12(18)6-14)9(2)17(8)13-4-3-10(15)7-16-13/h3-5,7H,6H2,1-2H3 |
| Molecular Weight | 266.7 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Substituted pyrroles Pyridines and derivatives Aryl fluorides Vinylogous amides Heteroaromatic compounds Alpha-chloroketones Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Aryl fluoride - Aryl halide - Pyridine - Substituted pyrrole - Alpha-haloketone - Alpha-chloroketone - Pyrrole - Vinylogous amide - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl chloride - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
| Molecular Weight | 266.700 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 266.062 Da |
| Monoisotopic Mass | 266.062 Da |
| Topological Polar Surface Area | 34.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 315.000 |
| 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 |