≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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 | C1CC(=O)C2=C1C(=C(C=C2)F)Br |
|---|---|
| IUPAC Name | 4-bromo-5-fluoro-2,3-dihydroinden-1-one |
| InChIKey | JTVKCVNXTBXSOL-UHFFFAOYSA-N |
| INCHI | 1S/C9H6BrFO/c10-9-6-2-4-8(12)5(6)1-3-7(9)11/h1,3H,2,4H2 |
| Isómeros SMILES | C1CC(=O)C2=C1C(=C(C=C2)F)Br |
| CAS alternativo | 935681-01-9 |
| PubChem CID | 66646297 |
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 | Benzenoids |
| Clase | Indanes |
| Subclass | Indanones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanones |
| Alternative Parents | Aryl alkyl ketones Aryl fluorides Aryl bromides Organofluorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Indanone - Aryl alkyl ketone - Aryl ketone - Aryl halide - Aryl fluoride - Aryl bromide - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group. |
| External Descriptors | Not available |
| Peso molecular | 229.050 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 227.959 Da |
| Monoisotopic Mass | 227.959 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
