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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 | C1CC1NC2=C(C=C(C=N2)Br)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-bromo-N-cyclopropyl-3-nitropyridin-2-amine |
| InChIKey | PGANNHCGNMGTFO-UHFFFAOYSA-N |
| INCHI | 1S/C8H8BrN3O2/c9-5-3-7(12(13)14)8(10-4-5)11-6-1-2-6/h3-4,6H,1-2H2,(H,10,11) |
| Isomeric SMILES | C1CC1NC2=C(C=C(C=N2)Br)[N+](=O)[O-] |
| PubChem CID | 45158828 |
| Molecular Weight | 258.1 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Secondary alkylarylamines Aminopyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Aminopyridine - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Organic oxoazanium - Azacycle - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Amine - Organohalogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
| Molecular Weight | 258.070 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 256.98 Da |
| Monoisotopic Mass | 256.98 Da |
| Topological Polar Surface Area | 70.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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 |