Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=TUYGVBPSGVSGHN-NSHDSACASA-N

Formula

C13H17BrO3

Mass

301.18

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenylpropane - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Aromatic alcohol - 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

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