(6-Bromo-2-methylquinolin-4-yl)methanol - ≥96% , CAS No.885279-63-0

CAS: 885279-63-0 Cat. No.: B1354996 PubChem CID: 53420929

GRADE & PURITY ≥96%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C2C=C(C=CC2=N1)Br)CO
• IUPAC Name: (6-bromo-2-methylquinolin-4-yl)methanol
• InChIKey: ZHJCFVXVOSXMJA-UHFFFAOYSA-N
• INCHI: 1S/C11H10BrNO/c1-7-4-8(6-14)10-5-9(12)2-3-11(10)13-7/h2-5,14H,6H2,1H3
• Isómeros SMILES: CC1=CC(=C2C=C(C=CC2=N1)Br)CO
• CAS alternativo: 885279-63-0
• PubChem CID: 53420929

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass 4-quinolinemethanols

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: 4-quinolinemethanols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-quinolinemethanols
• Alternative Parents: Haloquinolines Methylpyridines Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-quinolinemethanol - Haloquinoline - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-quinolinemethanols. These are organoheterocyclic compounds containing a quinoline moiety substituted at the 4-position with a methanol.
• 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: 252.110 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 250.995 Da
• Monoisotopic Mass: 250.995 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 200.000
• 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