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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 | COC(=O)C(C1=C(C=C(C=N1)Cl)[N+](=O)[O-])C(=O)OC |
|---|---|
| IUPAC Name | dimethyl 2-(5-chloro-3-nitropyridin-2-yl)propanedioate |
| InChIKey | UVSRKEGGVVTQFK-UHFFFAOYSA-N |
| INCHI | 1S/C10H9ClN2O6/c1-18-9(14)7(10(15)19-2)8-6(13(16)17)3-5(11)4-12-8/h3-4,7H,1-2H3 |
| Isómeros SMILES | COC(=O)C(C1=C(C=C(C=N1)Cl)[N+](=O)[O-])C(=O)OC |
| PubChem CID | 53217429 |
| Peso molecular | 288.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic 1,3-dipolar compounds |
| Clase | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Pyridines and derivatives 1,3-dicarbonyl compounds Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organic oxides Organopnictogen compounds Organic salts |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Pyridine - 1,3-dicarbonyl compound - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organic zwitterion - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
| Peso molecular | 288.640 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 288.015 Da |
| Monoisotopic Mass | 288.015 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 356.000 |
| 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 |