Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | CN1C2=C(C=N1)C(=C(C=C2)Br)F |
|---|---|
| IUPAC Name | 5-bromo-4-fluoro-1-methylindazole |
| InChIKey | ANLXRMBQONDZBQ-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrFN2/c1-12-7-3-2-6(9)8(10)5(7)4-11-12/h2-4H,1H3 |
| Isómeros SMILES | CN1C2=C(C=N1)C(=C(C=C2)Br)F |
| PubChem CID | 69079347 |
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 | Organoheterocyclic compounds |
| Clase | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Benzenoids Aryl fluorides Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzopyrazole - Indazole - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
| Peso molecular | 229.050 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 227.97 Da |
| Monoisotopic Mass | 227.97 Da |
| Topological Polar Surface Area | 17.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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 |