Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCBr)C2=C(O1)C(OCC([O-])=O)=CC=C2

InChIKey

InChIKey=DJXBKDAUZSHKSZ-UHFFFAOYSA-M

Formula

C13H12BrO4

Mass

312.14

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenoxyacetic acid derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenoxyacetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxyacetate - Benzofuran - Alkyl aryl ether - Heteroaromatic compound - Furan - Carboxylic acid salt - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl bromide - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alkyl halide - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.

External Descriptors

Not available

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