≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O)OC |
|---|---|
| IUPAC Name | 6-chloro-2-(3,4-dimethoxyphenyl)quinoline-4-carboxylic acid |
| InChIKey | JHEHNXNTFNLQKP-UHFFFAOYSA-N |
| INCHI | 1S/C18H14ClNO4/c1-23-16-6-3-10(7-17(16)24-2)15-9-13(18(21)22)12-8-11(19)4-5-14(12)20-15/h3-9H,1-2H3,(H,21,22) |
| Isomeric SMILES | COC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O)OC |
| PubChem CID | 4572964 |
| Molecular Weight | 343.77 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Quinoline carboxylic acids Phenylpyridines Chloroquinolines Dimethoxybenzenes Pyridinecarboxylic acids Phenoxy compounds Anisoles Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Organonitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - Quinoline-4-carboxylic acid - 2-phenylpyridine - Haloquinoline - Chloroquinoline - Dimethoxybenzene - O-dimethoxybenzene - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Aryl chloride - Pyridine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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 | 343.800 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 343.061 Da |
| Monoisotopic Mass | 343.061 Da |
| Topological Polar Surface Area | 68.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 449.000 |
| 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 |
