Compound Identification
SMILES
COC(=O)C1=CC(Cl)=C(CBr)C=C1Cl
InChIKey
InChIKey=LTDBXDINOUYZHE-UHFFFAOYSA-N
Formula
C9H7BrCl2O2
Mass
297.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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 2-halobenzoic acids and derivatives Dichlorobenzenes Benzyl bromides Benzoyl derivatives Aryl chlorides Vinylogous halides Methyl esters Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzyl halide - Benzyl bromide - Benzoyl - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organochloride - Organooxygen compound - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - 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