Compound Identification
SMILES
NC1=C(C=CC(Br)=C1)C#N
InChIKey
InChIKey=PWJBXJQMHYIRKI-UHFFFAOYSA-N
Formula
C7H5BrN2
Mass
197.035
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Aniline and substituted anilines Bromobenzenes Aryl bromides Nitriles Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available