≥95% 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=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O |
|---|---|
| IUPAC Name | 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid |
| InChIKey | FXTAXDJWNKIIHF-UHFFFAOYSA-N |
| INCHI | 1S/C17H12ClNO3/c1-22-12-5-2-10(3-6-12)16-9-14(17(20)21)13-8-11(18)4-7-15(13)19-16/h2-9H,1H3,(H,20,21) |
| Isomeric SMILES | COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O |
| PubChem CID | 4277393 |
| Molecular Weight | 313.74 |
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 Pyridinecarboxylic acids Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - Quinoline-4-carboxylic acid - 2-phenylpyridine - Haloquinoline - Chloroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Pyridine - Aryl chloride - 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 | 313.700 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 313.051 Da |
| Monoisotopic Mass | 313.051 Da |
| Topological Polar Surface Area | 59.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 397.000 |
| 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 |
