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≥95% 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.
| Sonrisas canónicas | CC1=NC(=CC=C1)C2=NN3CCCC3=C2C4=C5C=CC(=CC5=NC=C4)Br |
|---|---|
| IUPAC Name | 7-bromo-4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline |
| InChIKey | PCKFABJLKSXQEV-UHFFFAOYSA-N |
| INCHI | 1S/C21H17BrN4/c1-13-4-2-5-17(24-13)21-20(19-6-3-11-26(19)25-21)16-9-10-23-18-12-14(22)7-8-15(16)18/h2,4-5,7-10,12H,3,6,11H2,1H3 |
| Peso molecular | 405.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Haloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Haloquinolines |
| Alternative Parents | Pyrrolopyrazoles Methylpyridines Benzenoids Aryl bromides Pyrroles Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Pyrrolopyrazole - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Pyrrole - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom. |
| External Descriptors | Not available |
| Peso molecular | 405.300 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 404.064 Da |
| Monoisotopic Mass | 404.064 Da |
| Topological Polar Surface Area | 43.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| 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 |