Compound Identification
SMILES
OC1=C(Br)C=C(C=C1Br)C#N.CC1=C(OCC(O)=O)C=CC(Cl)=C1
InChIKey
InChIKey=OYSRXGQDYWTBQU-UHFFFAOYSA-N
Formula
C16H12Br2ClNO4
Mass
477.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenoxyacetic acid derivatives
- Level 5 Chlorophenoxyacetates
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Subclass
Phenoxyacetic acid derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Chlorophenoxyacetates
Alternative Parents
Phenoxy compounds Phenol ethers Benzonitriles O-bromophenols Toluenes Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Nitriles Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Chlorophenoxyacetate - Phenoxy compound - Benzonitrile - Phenol ether - 2-halophenol - 2-bromophenol - Alkyl aryl ether - Toluene - Phenol - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organochloride - Organobromide - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorophenoxyacetates. These are compounds containing a phenoxyacetate that carries one or more chlorine atoms on the benzene ring.
External Descriptors
Not available