≥97% 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.
| Canonical Smiles | C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-(4-nitrophenyl)-1,2-oxazole-3-carboxylic acid |
| InChIKey | GBRSPKXOFRTAHS-UHFFFAOYSA-N |
| INCHI | 1S/C10H6N2O5/c13-10(14)8-5-9(17-11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14) |
| Isomeric SMILES | C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)[N+](=O)[O-] |
| Alternate CAS | 33282-25-6 |
| Molecular Weight | 234.16 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Isoxazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Azole - Isoxazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2516309 | Certificate of Analysis | Jan 17, 2025 | I700677 |
| G2516310 | Certificate of Analysis | Jan 17, 2025 | I700677 |
| G2516311 | Certificate of Analysis | Jan 17, 2025 | I700677 |
| G2516312 | Certificate of Analysis | Jan 17, 2025 | I700677 |
| Molecular Weight | 234.160 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 234.028 Da |
| Monoisotopic Mass | 234.028 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 308.000 |
| 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 |
