Compound Identification
SMILES
CC1=C(Br)C(=O)C(Cl)=C(Cl)C1=O
InChIKey
InChIKey=GQBAFLBHWSODBQ-UHFFFAOYSA-N
Formula
C7H3BrCl2O2
Mass
269.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinones
-
Level 8
Benzoquinones
-
Level 9
P-benzoquinones
- Level 10 P-toluquinones
-
Level 9
P-benzoquinones
-
Level 8
Benzoquinones
-
Level 7
Quinones
-
Level 6
Cyclic 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 - Cyclic ketones - Quinones - Benzoquinones - P-benzoquinones
Direct Parent
P-toluquinones
Alternative Parents
Alpha-branched alpha,beta-unsaturated ketones Vinylogous halides Enones Alpha-chloroketones Acryloyl compounds Vinyl chlorides Vinyl bromides Chloroalkenes Bromoalkenes Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
P-toluquinone - Alpha-branched alpha,beta-unsaturated-ketone - Alpha-haloketone - Alpha-chloroketone - Vinylogous halide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Chloroalkene - Bromoalkene - Haloalkene - Vinyl halide - Vinyl chloride - Vinyl bromide - Organic oxide - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-toluquinones. These are toluene with two ketone group attached to the benzene ring in a para-relationship.
External Descriptors
Not available