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Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COC1=CC2=CC(=C(N=C2C=C1)Cl)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 2-chloro-6-methoxy-3-phenylquinoline |
| InChIKey | GGBHOBDCDNXFFD-UHFFFAOYSA-N |
| INCHI | 1S/C16H12ClNO/c1-19-13-7-8-15-12(9-13)10-14(16(17)18-15)11-5-3-2-4-6-11/h2-10H,1H3 |
| Isomeric SMILES | COC1=CC2=CC(=C(N=C2C=C1)Cl)C3=CC=CC=C3 |
| WGK Germany | 3 |
| Molecular Weight | 269.73 |
| Reaxy-Rn | 5948274 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5948274&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | Phenylpyridines Chloroquinolines Anisoles Alkyl aryl ethers 2-halopyridines Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - 3-phenylpyridine - Haloquinoline - Chloroquinoline - Anisole - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 269.720 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 269.061 Da |
| Monoisotopic Mass | 269.061 Da |
| Topological Polar Surface Area | 22.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
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