≥98% 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 | C1=CC=C(C(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F)Br |
|---|---|
| IUPAC Name | 3-(2-bromophenoxy)-7-hydroxy-2-(trifluoromethyl)chromen-4-one |
| InChIKey | ZUPAUUODTPDZTH-UHFFFAOYSA-N |
| INCHI | 1S/C16H8BrF3O4/c17-10-3-1-2-4-11(10)23-14-13(22)9-6-5-8(21)7-12(9)24-15(14)16(18,19)20/h1-7,21H |
| Isomeric SMILES | C1=CC=C(C(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)O)C(F)(F)F)Br |
| PubChem CID | 5348630 |
| Molecular Weight | 401.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Diarylethers Phenoxy compounds Phenol ethers Pyranones and derivatives Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Diaryl ether - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Pyranone - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Ether - Alkyl halide - Organofluoride - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - 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 | 401.130 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 399.956 Da |
| Monoisotopic Mass | 399.956 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 534.000 |
| 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 |
