Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(Cl)C=CC(=C1)C1=CC=C(O1)C=NNC1=NC2=NON=C2N=C1NC1=CC=CC=C1F

InChIKey

InChIKey=XXNPEDWWYRIJFR-UHFFFAOYSA-N

Formula

C22H13ClFN7O4

Mass

493.84

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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 heteropolycyclic compounds

Substituents

Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Aminopyrazine - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyrazine - Imidolactam - Vinylogous halide - Oxadiazole - Heteroaromatic compound - Furan - Furazan - Azole - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Hydrazone - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic 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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