Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(Cl)C=CC(=C1)C(=O)NC1=NC2=C(S1)C=C(Br)C=C2

InChIKey

InChIKey=VWIHSYIUQYXIDW-UHFFFAOYSA-N

Formula

C14H7BrClN3O3S

Mass

412.64

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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

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzamide - Nitrobenzene - Benzoyl - Nitroaromatic compound - Halobenzene - Chlorobenzene - Aryl bromide - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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