1-(3-Bromoquinolin-6-yl)ethanone - ≥97% , CAS No.1150618-23-7

CAS: 1150618-23-7 Cat. No.: B189814 Peso molecular: 250.09

GRADE & PURITY ≥97%

Synonyms

1150618-23-7 | MFCD12024483 | SB71485 | K10013 | 1-(3-bromoquinolin-6-yl)ethanone | 1-(3-Bromoquinolin-6-yl)ethan-1-one | Ethanone, 1-(3-bromo-6-quinolinyl)- | AKOS015919386 | 1-(3-bromo-6-quinolinyl)ethanone | 1-(3-bromanylquinolin-6-yl)ethanone | AWB618

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1150618-23-7 | MFCD12024483 | SB71485 | K10013 | 1-(3-bromoquinolin-6-yl)ethanone | 1-(3-Bromoquinolin-6-yl)ethan-1-one | Ethanone, 1-(3-bromo-6-quinolinyl)- | AKOS015919386 | 1-(3-bromo-6-quinolinyl)ethanone | 1-(3-bromanylquinolin-6-yl)ethanone | AWB618

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504770147
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770147
• Sonrisas canónicas: CC(=O)C1=CC2=CC(=CN=C2C=C1)Br
• IUPAC Name: 1-(3-bromoquinolin-6-yl)ethanone
• InChIKey: AYEUSAZLYWJBOM-UHFFFAOYSA-N
• INCHI: 1S/C11H8BrNO/c1-7(14)8-2-3-11-9(4-8)5-10(12)6-13-11/h2-6H,1H3
• Isómeros SMILES: CC(=O)C1=CC2=CC(=CN=C2C=C1)Br
• Peso molecular: 250.09
• Reaxy-Rn: 24695941
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24695941&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Acetophenones Aryl alkyl ketones Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Acetophenone - Aryl alkyl ketone - Aryl ketone - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Ketone - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 250.090 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 248.979 Da
• Monoisotopic Mass: 248.979 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• 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