Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@](F)(Br)[C@H](O)C1=CC=CC=C1

InChIKey

InChIKey=OBDWXYGIANNMQE-KOLCDFICSA-N

Formula

C11H12BrFO3

Mass

291.116

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Subclass

Beta hydroxy acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta hydroxy acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta-hydroxy acid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Bromohydrin - Carboxylic acid ester - Secondary alcohol - Fluorohydrin - Halohydrin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Carbonyl group - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

External Descriptors

Not available

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