5-bromo-7-methoxyquinoline - ≥96% , CAS No.1126824-44-9

CAS: 1126824-44-9 Cat. No.: B734864 Formule: C₁₀H₈BrNO Poids moléculaire: 238.08 Numéro CE: 874-773-5 PubChem CID: 71238226

GRADE & PURITY ≥96%

Storage

Room temperature

Specifications

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Pureté

≥96%

Noms et identifiants

Sourires canoniques

COC1=CC2=C(C=CC=N2)C(=C1)Br

IUPAC Name

5-bromo-7-methoxyquinoline

InChIKey

OXTZDFDSYUFWNS-UHFFFAOYSA-N

INCHI

1S/C10H8BrNO/c1-13-7-5-9(11)8-3-2-4-12-10(8)6-7/h2-6H,1H3

Isomères SMILES

COC1=CC2=C(C=CC=N2)C(=C1)Br

PubChem CID

71238226

Poids moléculaire

238.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 238.080 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.979 Da
• Monoisotopic Mass: 236.979 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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