Compound Identification
SMILES
CC1(C)COB(OC1)C1=C(C=CC(Cl)=C1)C#N
InChIKey
InChIKey=JUJHSJFBHCQGCU-UHFFFAOYSA-N
Formula
C12H13BClNO2
Mass
249.5
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
Chlorobenzenes Aryl chlorides Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Organopnictogen compounds Organooxygen compounds Organometalloid compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Carbonitrile - Nitrile - Organoheterocyclic compound - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic metalloid moeity - Organochloride - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteromonocyclic 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