Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)N(CC2=C(C=CC(Br)=C2)C(O)=O)N=C1C(F)(F)F

InChIKey

InChIKey=JORHWBYLRFJWOU-UHFFFAOYSA-N

Formula

C12H9BrF3N3O3

Mass

380.121

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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

Halobenzoic acids and derivatives

Direct Parent

Halobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Halobenzoic acid - 4-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.

External Descriptors

Not available

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