Compound Identification
SMILES
CC(C)(O)C(C)(C)OB(O)C1=C(C#N)C(F)=CC=C1
InChIKey
InChIKey=UVXUMNVMWPNARE-UHFFFAOYSA-N
Formula
C13H17BFNO3
Mass
265.09
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
Fluorobenzenes Aryl fluorides Tertiary alcohols Boronic acid esters Organic metalloid salts Nitriles Organometalloid compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - Tertiary alcohol - Boronic acid derivative - Nitrile - Carbonitrile - Organic metalloid salt - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - 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