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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(N=C2C=NNC2=N1)Br |
|---|---|
| IUPAC Name | 5-bromo-1H-pyrazolo[3,4-b]pyrazine |
| InChIKey | AYXGMAXAMGHBMG-UHFFFAOYSA-N |
| INCHI | 1S/C5H3BrN4/c6-4-2-7-5-3(9-4)1-8-10-5/h1-2H,(H,7,8,10) |
| Isomeric SMILES | C1=C(N=C2C=NNC2=N1)Br |
| Alternate CAS | 1196152-90-5 |
| PubChem CID | 71741806 |
| Molecular Weight | 199.01 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolo[3,4-b]pyrazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[3,4-b]pyrazines |
| Alternative Parents | Pyrazines Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[3,4-b]pyrazine - Pyrazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[3,4-b]pyrazines. These are aromatic heterocyclic compounds containing a pyrazole ring and a pyrazine ring fused to one another without sharing a nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 199.010 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 197.954 Da |
| Monoisotopic Mass | 197.954 Da |
| Topological Polar Surface Area | 54.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 131.000 |
| 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 |