5-Chloro-8-(4-fluoro-2-nitrophenoxy)quinoline - ≥90% , CAS No.400078-01-5

CAS: 400078-01-5 Cat. No.: C1233016 Peso molecular: 318.69 PubChem CID: 3552753

GRADE & PURITY ≥90%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C=CC(=C2N=C1)OC3=C(C=C(C=C3)F)[N+](=O)[O-])Cl
• IUPAC Name: 5-chloro-8-(4-fluoro-2-nitrophenoxy)quinoline
• InChIKey: OLTOOGBUCYDVNN-UHFFFAOYSA-N
• INCHI: 1S/C15H8ClFN2O3/c16-11-4-6-14(15-10(11)2-1-7-18-15)22-13-5-3-9(17)8-12(13)19(20)21/h1-8H
• Isómeros SMILES: C1=CC2=C(C=CC(=C2N=C1)OC3=C(C=C(C=C3)F)[N+](=O)[O-])Cl
• PubChem CID: 3552753
• Peso molecular: 318.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Chloroquinolines Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Fluorobenzenes Pyridines and derivatives Aryl chlorides Aryl fluorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organofluorides Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Chloroquinoline - Haloquinoline - Quinoline - Nitrobenzene - Nitroaromatic compound - Phenol ether - Phenoxy compound - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Organic nitrogen compound - Organofluoride - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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: 318.680 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 318.021 Da
• Monoisotopic Mass: 318.021 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 409.000
• 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