for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CCC1=CC2=C(C=C1O)OC(=C(C2=O)C3=NC4=CC=CC=C4N3C)C(F)(F)F |
|---|---|
| IUPAC Name | 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-2-(trifluoromethyl)chromen-4-one |
| InChIKey | DSAJLEKUBMUVMP-UHFFFAOYSA-N |
| INCHI | 1S/C20H15F3N2O3/c1-3-10-8-11-15(9-14(10)26)28-18(20(21,22)23)16(17(11)27)19-24-12-6-4-5-7-13(12)25(19)2/h4-9,26H,3H2,1-2H3 |
| Molecular Weight | 388.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Benzimidazoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids N-substituted imidazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Benzimidazole - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - N-substituted imidazole - Pyran - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| External Descriptors | Not available |
| Molecular Weight | 388.300 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 388.103 Da |
| Monoisotopic Mass | 388.103 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 666.000 |
| 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 |
