≥95% 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.
| Sonrisas canónicas | C1=CC=C(C(=C1)C(=O)CCC2=CC(=CC(=C2)Cl)F)C(F)(F)F |
|---|---|
| IUPAC Name | 3-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one |
| InChIKey | GLDWWPOWWSBXEC-UHFFFAOYSA-N |
| INCHI | 1S/C16H11ClF4O/c17-11-7-10(8-12(18)9-11)5-6-15(22)13-3-1-2-4-14(13)16(19,20)21/h1-4,7-9H,5-6H2 |
| Isómeros SMILES | C1=CC=C(C(=C1)C(=O)CCC2=CC(=CC(=C2)Cl)F)C(F)(F)F |
| CAS alternativo | 898750-97-5 |
| PubChem CID | 24726572 |
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 | Phenylpropanoids and polyketides |
| Clase | Linear 1,3-diarylpropanoids |
| Subclass | Chalcones and dihydrochalcones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Retro-dihydrochalcones |
| Alternative Parents | Alkyl-phenylketones Butyrophenones Trifluoromethylbenzenes Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Trifluoromethylbenzene - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketone - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. |
| External Descriptors | Not available |
| Peso molecular | 330.700 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 330.043 Da |
| Monoisotopic Mass | 330.043 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 385.000 |
| 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 |
