Compound Identification
SMILES
[Br-].CC[N+]1(C)CCC(O)(C(C1)C(=O)C1=CC(Cl)=C(Cl)C=C1)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=JRENEHUSEIEQNN-UHFFFAOYSA-M
Formula
C21H22BrCl4NO2
Mass
542.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylpiperidines Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Aralkylamines Aryl chlorides Beta-amino ketones Tetraalkylammonium salts Tertiary alcohols Azacyclic compounds Hydrocarbon derivatives Organic bromide salts Organic oxides Organic zwitterions Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperidine - Benzoyl - 1,2-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - Piperidine - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary alcohol - Organoheterocyclic compound - Azacycle - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Organic bromide salt - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available