7-chloro-8-methylquinoline-3-carboxylic acid


Chemical Name: 7-chloro-8-methylquinoline-3-carboxylic acid
CAS Number: 948290-52-6
Product Number: AG00IIKA(AGN-PC-01A9Q4)
Synonyms:
MDL No:
Molecular Formula: C11H8ClNO2
Molecular Weight: 221.6397

Identification/Properties


Computed Properties
Molecular Weight:
221.64g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
221.024g/mol
Monoisotopic Mass:
221.024g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
259
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



7-Chloro-8-methyl-3-quinolinecarboxylic acid is a versatile compound that finds wide application in chemical synthesis. Due to its unique structural characteristics, this compound serves as a valuable building block in the creation of various pharmaceuticals and agrochemicals. Its quinoline core provides a platform for the synthesis of diverse molecules with potentially important biological activities. In organic chemistry, 7-Chloro-8-methyl-3-quinolinecarboxylic acid is often utilized as a key intermediate in the preparation of complex heterocyclic compounds through different synthetic routes. Its presence facilitates the introduction of specific functional groups or modifications, allowing for the production of novel compounds with desired properties. In summary, the compound plays a crucial role in the development of innovative chemicals with potential applications in medicine, agriculture, and materials science.