Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC2=C(C=C1)N=C(N2)SC(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=KXSDEXHJNMFTLB-UHFFFAOYSA-N

Formula

C14H8ClN3O3S

Mass

333.75

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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 - Benzimidazole - Thiobenzoic acid or derivatives - Aryl thioether - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Imidazole - Carbothioic s-ester - C-nitro compound - Thiocarboxylic acid ester - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic zwitterion - Organic nitrogen 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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