7-Bromo-2,8-dimethyl-4-hydroxyquinoline - ≥97% , CAS No.1189106-80-6

CAS: 1189106-80-6 Cat. No.: B166314 Formule: C₁₁H₁₀BrNO Poids moléculaire: 252.11 Numéro CE: 802-579-2 PubChem CID: 45599428

GRADE & PURITY ≥97%

Synonyms

MFCD12675041 | 7-Bromo-2,8-dimethylquinoline-4-ol | 1189106-80-6 | AKOS025394227 | 7-Bromo-2,8-dimethyl-4-hydroxyquinoline | DTXSID70670971 | 7-Bromo-2,8-dimethylquinolin-4-ol | 7-Bromo-2,8-dimethylquinolin-4(1H)-one | F84095 | 7-Bromo-2,8-dimethyl-4-hydr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

MFCD12675041 | 7-Bromo-2,8-dimethylquinoline-4-ol | 1189106-80-6 | AKOS025394227 | 7-Bromo-2,8-dimethyl-4-hydroxyquinoline | DTXSID70670971 | 7-Bromo-2,8-dimethylquinolin-4-ol | 7-Bromo-2,8-dimethylquinolin-4(1H)-one | F84095 | 7-Bromo-2,8-dimethyl-4-hydr

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504770610
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770610
• Sourires canoniques: CC1=CC(=O)C2=C(N1)C(=C(C=C2)Br)C
• IUPAC Name: 7-bromo-2,8-dimethyl-1H-quinolin-4-one
• InChIKey: ZBMQLNRKZDXRPA-UHFFFAOYSA-N
• INCHI: 1S/C11H10BrNO/c1-6-5-10(14)8-3-4-9(12)7(2)11(8)13-6/h3-5H,1-2H3,(H,13,14)
• Isomères SMILES: CC1=CC(=O)C2=C(N1)C(=C(C=C2)Br)C
• WGK Allemagne: 3
• PubChem CID: 45599428
• Poids moléculaire: 252.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Haloquinolines Hydroquinolines Methylpyridines Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Haloquinoline - Dihydroquinoline - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 252.110 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 250.995 Da
• Monoisotopic Mass: 250.995 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 287.000
• 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