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7-Bromo-2,8-dimethyl-4-hydroxyquinoline - 97%, high purity , CAS No.1189106-80-6
Basic Description
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
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
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.
Names and Identifiers
Pubchem Sid
504770610
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770610
IUPAC Name
7-bromo-2,8-dimethyl-1H-quinolin-4-one
INCHI
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)
InChIKey
ZBMQLNRKZDXRPA-UHFFFAOYSA-N
Smiles
CC1=CC(=O)C2=C(N1)C(=C(C=C2)Br)C
Isomeric SMILES
CC1=CC(=O)C2=C(N1)C(=C(C=C2)Br)C
WGK Germany
3
PubChem CID
45599428
Molecular Weight
252.11
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
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
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