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 | C1CCOC(C1)N2C3=C(C=CC(=C3)Br)C(=N2)NC4CCOCC4 |
|---|---|
| IUPAC Name | 6-bromo-1-(oxan-2-yl)-N-(oxan-4-yl)indazol-3-amine |
| InChIKey | NQOKZLXBBXZSKQ-UHFFFAOYSA-N |
| INCHI | 1S/C17H22BrN3O2/c18-12-4-5-14-15(11-12)21(16-3-1-2-8-23-16)20-17(14)19-13-6-9-22-10-7-13/h4-5,11,13,16H,1-3,6-10H2,(H,19,20) |
| Molecular Weight | 380.3 |
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 | Secondary alkylarylamines Oxanes Imidolactams Benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzopyrazole - Indazole - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Imidolactam - Benzenoid - Oxane - Azole - Heteroaromatic compound - Pyrazole - Oxacycle - Dialkyl ether - Ether - Azacycle - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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 | 380.300 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 379.09 Da |
| Monoisotopic Mass | 379.09 Da |
| Topological Polar Surface Area | 48.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 394.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
