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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 | C1CC(=O)C2=C1C(=CC(=C2)F)Br |
|---|---|
| IUPAC Name | 4-bromo-6-fluoro-2,3-dihydroinden-1-one |
| InChIKey | KBBCLUTZUIWTON-UHFFFAOYSA-N |
| INCHI | 1S/C9H6BrFO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h3-4H,1-2H2 |
| Isomeric SMILES | C1CC(=O)C2=C1C(=CC(=C2)F)Br |
| Alternate CAS | 174603-56-6 |
| Molecular Weight | 229.05 |
| Reaxy-Rn | 9258217 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9258217&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | 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 |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Nov 19, 2024 | B587671 | |
| Certificate of Analysis | Nov 19, 2024 | B587671 | |
| Certificate of Analysis | Nov 19, 2024 | B587671 | |
| Certificate of Analysis | Nov 19, 2024 | B587671 | |
| Certificate of Analysis | Nov 19, 2024 | B587671 | |
| Certificate of Analysis | Nov 19, 2024 | B587671 | |
| Certificate of Analysis | Nov 19, 2024 | B587671 |
| Molecular Weight | 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 |