Compound Identification
SMILES
COC1=C(Br)C=CC(CC([O-])=O)=C1
InChIKey
InChIKey=XAELQZLYEDCMJI-UHFFFAOYSA-M
Formula
C9H8BrO3
Mass
244.065
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenylacetic acids
- Level 5 4-halophenylacetic acids
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Subclass
Phenylacetic acids
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylacetic acids
Intermediate Tree Nodes
Not available
Direct Parent
4-halophenylacetic acids
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halophenylacetic acid - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organobromide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halophenylacetic acids. These are aromatic compounds containing a phenylacetic acid, which is para-substituted with a halogen atom.
External Descriptors
Not available