Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CN=C(NC(=O)C2=CC(Br)=CC=C2)S1

InChIKey

InChIKey=QAWKVTTUAALKTK-UHFFFAOYSA-N

Formula

C10H6BrN3O3S

Mass

328.14

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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

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Nitroaromatic compound - Nitrothiazole - Benzoyl - 2,5-disubstituted 1,3-thiazole - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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