≥95% 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 | CC1=NC=CN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O |
|---|---|
| IUPAC Name | 5-(2-methylimidazol-1-yl)-2-nitrobenzoic acid |
| InChIKey | IUFVLPIIHJXSCC-UHFFFAOYSA-N |
| INCHI | 1S/C11H9N3O4/c1-7-12-4-5-13(7)8-2-3-10(14(17)18)9(6-8)11(15)16/h2-6H,1H3,(H,15,16) |
| Isómeros SMILES | CC1=NC=CN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O |
| PubChem CID | 16792125 |
| Peso molecular | 247.2 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | Phenylimidazoles Benzoic acids Nitrobenzenes Benzoyl derivatives Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds N-substituted imidazoles Heteroaromatic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzoate - 1-phenylimidazole - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Imidazolyl carboxylic acid derivative - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 247.210 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 247.059 Da |
| Monoisotopic Mass | 247.059 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 344.000 |
| 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 |
