Compound Identification
SMILES
CC(C)OC(=O)c1ccc(CBr)c(Cl)c1
InChIKey
InChIKey=ZMBVEWSHSZQQFE-UHFFFAOYSA-N
Formula
C11H12BrClO2
Mass
291.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
3-halobenzoic acids and derivatives Benzyl bromides Benzoyl derivatives Chlorobenzenes Aryl chlorides Carboxylic acid esters Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzyl halide - Benzyl bromide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid ester - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Alkyl halide - Alkyl bromide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available