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)Cl)C(=O)O1 |
|---|---|
| IUPAC Name | 2-amino-4-(3,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile |
| InChIKey | PQIKMQNXVDWROI-UHFFFAOYSA-N |
| INCHI | 1S/C16H10Cl2N2O3/c1-7-4-12-14(16(21)22-7)13(9(6-19)15(20)23-12)8-2-3-10(17)11(18)5-8/h2-5,13H,20H2,1H3 |
| Isómeros SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)Cl)Cl)C(=O)O1 |
| PubChem CID | 2828682 |
| Peso molecular | 349.17 |
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 | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Pyranones and derivatives Aryl chlorides Vinylogous esters Heteroaromatic compounds Lactones Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,2-dichlorobenzene - Pyranone - Aryl chloride - Aryl halide - Pyran - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Peso molecular | 349.200 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 348.007 Da |
| Monoisotopic Mass | 348.007 Da |
| Topological Polar Surface Area | 85.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 701.000 |
| 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-(3,4-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile , CAS No.315246-08-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)