Structure Information
Structure

Compound Identification

SMILES

CC1=CC(Br)=C(NCC#N)C=C1

InChIKey

InChIKey=TUMYKONHNYZPBY-UHFFFAOYSA-N

Formula

C9H9BrN2

Mass

225.089

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Aminotoluenes

Alternative Parents

Phenylalkylamines 2-bromoanilines Secondary alkylarylamines Bromobenzenes Aryl bromides Alpha-aminonitriles Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

2-bromoaniline - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Alpha-aminonitrile - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Cyanide - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.

External Descriptors

Not available

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