Methyl 7-chloro-8-fluoro-4-hydroxyquinoline-2-carboxylate - ≥98% , CAS No.1150164-88-7

CAS: 1150164-88-7 Cat. No.: M179640 Molecular Weight: 255.63

GRADE & PURITY ≥98%

Synonyms

FT-0756673 | BS-19374 | MFCD12026032 | AMY18078 | methyl7-chloro-8-fluoro-4-hydroxyquinoline-2-carboxylate | AKOS012683061 | Methyl 7-chloro-8-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate | A894015 | SB68675 | DTXSID10674973 | 2-Quinolinecarboxylic aci

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

FT-0756673 | BS-19374 | MFCD12026032 | AMY18078 | methyl7-chloro-8-fluoro-4-hydroxyquinoline-2-carboxylate | AKOS012683061 | Methyl 7-chloro-8-fluoro-4-oxo-1, 4-dihydroquinoline-2-carboxylate | A894015 | SB68675 | DTXSID10674973 | 2-Quinolinecarboxylic aci

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=CC(=O)C2=C(N1)C(=C(C=C2)Cl)F
• IUPAC Name: methyl 7-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
• InChIKey: QNQCGOHVBPQXAH-UHFFFAOYSA-N
• INCHI: 1S/C11H7ClFNO3/c1-17-11(16)7-4-8(15)5-2-3-6(12)9(13)10(5)14-7/h2-4H,1H3,(H,14,15)
• Isomeric SMILES: COC(=O)C1=CC(=O)C2=C(N1)C(=C(C=C2)Cl)F
• Molecular Weight: 255.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Chloroquinolines Hydroquinolines Pyridinecarboxylic acids Aryl chlorides Aryl fluorides Benzenoids Vinylogous amides Heteroaromatic compounds Methyl esters Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organofluorides Organonitrogen compounds Organochlorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Chloroquinoline - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 255.630 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 255.01 Da
• Monoisotopic Mass: 255.01 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 385.000
• 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