Compound Identification
SMILES
CC1=CC=CC=C1.CC(C)(C)C(=O)CCl
InChIKey
InChIKey=XHZGZJVMMNLJCH-UHFFFAOYSA-N
Formula
C13H19ClO
Mass
226.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Aromatic hydrocarbons Alpha-chloroketones Unsaturated hydrocarbons Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Not available
Substituents
Toluene - Alpha-haloketone - Alpha-chloroketone - Aromatic hydrocarbon - Ketone - Alkyl chloride - Alkyl halide - Organic oxide - Hydrocarbon derivative - Unsaturated hydrocarbon - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available