Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(NC2=NC(Cl)=C(Br)C=C2C(F)(F)F)C(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O

InChIKey

InChIKey=QTXZYQVNTBTNHU-UHFFFAOYSA-N

Formula

C13H3BrCl2F6N4O4

Mass

543.99

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Trifluoromethylbenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Trifluoromethylbenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Polyhalopyridine - Aniline or substituted anilines - Aminopyridine - 2-halopyridine - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organobromide - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.

External Descriptors

Not available

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