Compound Identification
SMILES
OC(C1=CC=C(C=C1)C#N)C(F)(Br)Br
InChIKey
InChIKey=SYOALULLNSBZQE-UHFFFAOYSA-N
Formula
C9H6Br2FNO
Mass
322.959
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
Secondary alcohols Fluorohydrins Bromohydrins Nitriles Organofluorides Organobromides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Bromohydrin - Fluorohydrin - Halohydrin - Secondary alcohol - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Alcohol - Organic nitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Cyanide - 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