for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)O1 |
|---|---|
| IUPAC Name | 2-amino-4-(4-chloro-3-nitrophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile |
| InChIKey | AURMXPOPZYMGQV-UHFFFAOYSA-N |
| INCHI | 1S/C16H10ClN3O5/c1-7-4-12-14(16(21)24-7)13(9(6-18)15(19)25-12)8-2-3-10(17)11(5-8)20(22)23/h2-5,13H,19H2,1H3 |
| Isómeros SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)O1 |
| PubChem CID | 3125741 |
| Peso molecular | 359.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Pyranones and derivatives Chlorobenzenes Aryl chlorides Vinylogous esters Heteroaromatic compounds Ketene acetals Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Organic oxoazanium compounds Organic zwitterions Organochlorides Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Pyran - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic zwitterion - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organic salt - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 359.720 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 359.031 Da |
| Monoisotopic Mass | 359.031 Da |
| Topological Polar Surface Area | 131.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 785.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-amino-4-(4-chloro-3-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile , CAS No.309926-41-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)