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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 | C1=CC2=C(C=C1Cl)NC(=O)C(=C2)C=O |
|---|---|
| IUPAC Name | 7-chloro-2-oxo-1H-quinoline-3-carbaldehyde |
| InChIKey | SLMKBPCYPXSKPF-UHFFFAOYSA-N |
| INCHI | 1S/C10H6ClNO2/c11-8-2-1-6-3-7(5-13)10(14)12-9(6)4-8/h1-5H,(H,12,14) |
| Isómeros SMILES | C1=CC2=C(C=C1Cl)NC(=O)C(=C2)C=O |
| Peso molecular | 207.61 |
| Reaxy-Rn | 4997191 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4997191&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolones |
| Alternative Parents | Chloroquinolines Hydroquinolines Pyridine carboxaldehydes Pyridinones Aryl-aldehydes Benzenoids Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - 3-pyridine carboxaldehyde - Aryl-aldehyde - Pyridinone - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
| External Descriptors | Not available |
| Sensibilidad | Air sensitive |
|---|---|
| Peso molecular | 207.610 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 207.009 Da |
| Monoisotopic Mass | 207.009 Da |
| Topological Polar Surface Area | 46.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| 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 |