≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Argon charged 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.
| Canonical Smiles | COC1=C(C=C(C(=C1)C(=O)O)N)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-amino-5-methoxy-4-nitrobenzoic acid |
| InChIKey | SDGOTDAQMBDEOT-UHFFFAOYSA-N |
| INCHI | 1S/C8H8N2O5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,9H2,1H3,(H,11,12) |
| Isomeric SMILES | COC1=C(C=C(C(=C1)C(=O)O)N)[N+](=O)[O-] |
| PubChem CID | 21260273 |
| Molecular Weight | 212.16 |
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 | Nitrobenzoic acids and derivatives |
| Alternative Parents | M-methoxybenzoic acids and derivatives Nitrophenyl ethers Aminobenzoic acids Aminophenyl ethers Benzoic acids Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Vinylogous amides Amino acids Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Primary amines Organic salts Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - Nitrobenzene - Aminophenyl ether - Benzoic acid - Methoxyaniline - Phenol ether - Phenoxy compound - Nitroaromatic compound - Benzoyl - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Vinylogous amide - C-nitro compound - Amino acid - Amino acid or derivatives - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 212.160 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 212.043 Da |
| Monoisotopic Mass | 212.043 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 264.000 |
| 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 |
