≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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.
| Canonical Smiles | CC(=O)NC1=CC(=C(C=C1)N)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-(4-amino-3-nitrophenyl)acetamide |
| InChIKey | MGVDUDAXURKVCE-UHFFFAOYSA-N |
| INCHI | 1S/C8H9N3O3/c1-5(12)10-6-2-3-7(9)8(4-6)11(13)14/h2-4H,9H2,1H3,(H,10,12) |
| Isomeric SMILES | CC(=O)NC1=CC(=C(C=C1)N)[N+](=O)[O-] |
| PubChem CID | 4563031 |
| Molecular Weight | 195.18 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetanilides |
| Alternative Parents | Nitrobenzenes N-acetylarylamines Nitroaromatic compounds Aniline and substituted anilines Acetamides Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acetanilide - Nitrobenzene - N-acetylarylamine - Nitroaromatic compound - N-arylamide - Aniline or substituted anilines - Acetamide - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic salt - Organic oxygen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 195.180 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 195.064 Da |
| Monoisotopic Mass | 195.064 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 238.000 |
| 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 |
