Structure Information
Structure

Compound Identification

SMILES

NC1=NNC(C(=CC2=CC=C(O2)C2=C(Cl)C=CC(=C2)C(F)(F)F)C#N)=C1C#N

InChIKey

InChIKey=BONIQQZSVZERBL-UHFFFAOYSA-N

Formula

C18H9ClF3N5O

Mass

403.75

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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 - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Imidolactam - Azole - Furan - Heteroaromatic compound - Pyrazole - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen 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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