≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | CC(=O)NC1=C(C=C(C=N1)[N+](=O)[O-])Br |
|---|---|
| IUPAC Name | N-(3-bromo-5-nitropyridin-2-yl)acetamide |
| InChIKey | RWVNUCGTBLHJFL-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrN3O3/c1-4(12)10-7-6(8)2-5(3-9-7)11(13)14/h2-3H,1H3,(H,9,10,12) |
| Isómeros SMILES | CC(=O)NC1=C(C=C(C=N1)[N+](=O)[O-])Br |
| Peso molecular | 260 |
| Reaxy-Rn | 19653605 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19653605&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | N-arylamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-acetylarylamines |
| Alternative Parents | Nitroaromatic compounds Pyridines and derivatives Aryl bromides Imidolactams Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organobromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-acetylarylamine - Nitroaromatic compound - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Acetamide - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organobromide - Organic oxide - Organohalogen compound - Organooxygen compound - Carbonyl group - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 260.040 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 258.959 Da |
| Monoisotopic Mass | 258.959 Da |
| Topological Polar Surface Area | 87.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 243.000 |
| 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 |
