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≥97% 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 | C1=C(C=C(C2=C(NN=C21)C=O)F)Br |
|---|---|
| IUPAC Name | 6-bromo-4-fluoro-2H-indazole-3-carbaldehyde |
| InChIKey | XRQSLXPHWKSPTB-UHFFFAOYSA-N |
| INCHI | 1S/C8H4BrFN2O/c9-4-1-5(10)8-6(2-4)11-12-7(8)3-13/h1-3H,(H,11,12) |
| Isomeric SMILES | C1=C(C=C(C2=C(NN=C21)C=O)F)Br |
| Alternate CAS | 885520-72-9 |
| PubChem CID | 24728174 |
| Molecular Weight | 243.03 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Aryl-aldehydes Benzenoids Aryl fluorides Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzopyrazole - Indazole - Aryl-aldehyde - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 243.030 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 241.949 Da |
| Monoisotopic Mass | 241.949 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 216.000 |
| 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 |