≥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.
| Pubchem Sid | 488188743 |
|---|---|
| Canonical Smiles | CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC |
| IUPAC Name | methyl 2-acetamido-5-nitrobenzoate |
| InChIKey | HAKPLTBAUCAFMV-UHFFFAOYSA-N |
| INCHI | 1S/C10H10N2O5/c1-6(13)11-9-4-3-7(12(15)16)5-8(9)10(14)17-2/h3-5H,1-2H3,(H,11,13) |
| Isomeric SMILES | CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC |
| Molecular Weight | 238.2 |
| Reaxy-Rn | 2750564 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2750564&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Nitrobenzoic acids and derivatives Acetanilides Benzoic acid esters Nitrobenzenes N-acetylarylamines Benzoyl derivatives Nitroaromatic compounds Vinylogous amides Acetamides Methyl esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic zwitterions |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Nitrobenzoate - Acetanilide - Benzoate ester - N-acetylarylamine - Nitrobenzene - Anilide - Nitroaromatic compound - Benzoyl - N-arylamide - Acetamide - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2301663 | Certificate of Analysis | Jan 29, 2026 | M342066 |
| D2301662 | Certificate of Analysis | Jan 29, 2026 | M342066 |
| D2301661 | Certificate of Analysis | Jan 29, 2026 | M342066 |
| D2301660 | Certificate of Analysis | Jan 29, 2026 | M342066 |
| D2301659 | Certificate of Analysis | Jan 29, 2026 | M342066 |
| D2301657 | Certificate of Analysis | Jan 29, 2026 | M342066 |
| C2508151 | Certificate of Analysis | Feb 06, 2023 | M342066 |
| Melt Point(°C) | 172.5-177.5℃ |
|---|---|
| Molecular Weight | 238.200 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 238.059 Da |
| Monoisotopic Mass | 238.059 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 325.000 |
| 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 |
