GRADE & PURITY ≥97%

Synonyms

AB05529 | AKOS005260919 | SCHEMBL2176724 | 7-Fluoro-4-hydroxyquinoline | DTXSID00959908 | 7-fluoroquinolin-4-ol | 4-Quinolinol, 7-fluoro- | FT-0621411 | 7-fluoro-1H-quinolin-4-one | 7-Fluoro-4-hydroxyquinoline, AldrichCPR | 7-Fluoro-4-quinolinol | 7-fluor

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB05529 | AKOS005260919 | SCHEMBL2176724 | 7-Fluoro-4-hydroxyquinoline | DTXSID00959908 | 7-fluoroquinolin-4-ol | 4-Quinolinol, 7-fluoro- | FT-0621411 | 7-fluoro-1H-quinolin-4-one | 7-Fluoro-4-hydroxyquinoline, AldrichCPR | 7-Fluoro-4-quinolinol | 7-fluor

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193589
• Sonrisas canónicas: C1=CC2=C(C=C1F)NC=CC2=O
• IUPAC Name: 7-fluoro-1H-quinolin-4-one
• InChIKey: ZLHGUGJJHJJVHV-UHFFFAOYSA-N
• INCHI: 1S/C9H6FNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
• Isómeros SMILES: C1=CC2=C(C=C1F)NC=CC2=O
• WGK Alemania: 3
• Peso molecular: 163.15
• Reaxy-Rn: 7633878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7633878&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Haloquinolines Hydroquinolines Pyridines and derivatives Benzenoids Aryl fluorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Dihydroquinolone - Dihydroquinoline - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 163.150 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.043 Da
• Monoisotopic Mass: 163.043 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 227.000
• 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