≥90% 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.
| Sonrisas canónicas | CN1CC(C(C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=CC=C3Cl)F |
|---|---|
| IUPAC Name | [4-(2-chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl]-(4-fluorophenyl)methanone |
| InChIKey | OAJSJXJVFWZAFZ-UHFFFAOYSA-N |
| INCHI | 1S/C18H16ClF2NO/c1-22-9-13(17-15(19)3-2-4-16(17)21)14(10-22)18(23)11-5-7-12(20)8-6-11/h2-8,13-14H,9-10H2,1H3 |
| Isómeros SMILES | CN1CC(C(C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=CC=C3Cl)F |
| PubChem CID | 4327005 |
| Peso molecular | 335.78 |
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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylpyrrolidines Aryl alkyl ketones Benzoyl derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Aryl fluorides Gamma-amino ketones Beta-amino ketones Pyrroles Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - 3-phenylpyrrolidine - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Gamma-aminoketone - N-alkylpyrrolidine - Benzenoid - Pyrrole - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 335.800 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 335.089 Da |
| Monoisotopic Mass | 335.089 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 427.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
methanone - ≥90% , CAS No.478043-70-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)