Compound Identification
SMILES
OC(=O)C(\Cl)=C(\Br)C=O
InChIKey
InChIKey=ALLBBCMVBCVCKG-IHWYPQMZSA-N
Formula
C4H2BrClO3
Mass
213.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Halogenated fatty acids
-
Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Halogenated fatty acids
Alternative Parents
Unsaturated fatty acids Vinylogous halides Enals Alpha-halocarboxylic acids Vinyl chlorides Vinyl bromides Monocarboxylic acids and derivatives Chloroalkenes Carboxylic acids Bromoalkenes Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic acyclic compounds
Substituents
Halogenated fatty acid - Unsaturated fatty acid - Alpha,beta-unsaturated aldehyde - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Enal - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Chloroalkene - Bromoalkene - Monocarboxylic acid or derivatives - Haloalkene - Vinyl bromide - Vinyl chloride - Vinyl halide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Organooxygen compound - Carbonyl group - Aldehyde - Organic oxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
External Descriptors
Not available