Compound Identification
SMILES
O[C@H](C(O)=O)C(F)(F)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=IGJXGJKGEGKRKI-SSDOTTSWSA-N
Formula
C9H7ClF2O3
Mass
236.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Chlorobenzenes Aryl chlorides Alpha hydroxy acids and derivatives Secondary alcohols Fluorohydrins Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Chlorobenzene - Halobenzene - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Secondary alcohol - Halohydrin - Fluorohydrin - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Alkyl fluoride - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Alkyl halide - Organochloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available