Compound Identification
SMILES
OC(C(Br)C(O)=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=WWDMOKBTLGSZKK-UHFFFAOYSA-N
Formula
C10H8BrNO3
Mass
270.082
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
Benzonitriles Beta hydroxy acids and derivatives Alpha-halocarboxylic acids Secondary alcohols Bromohydrins Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Benzonitrile - Beta-hydroxy acid - Benzenoid - Hydroxy acid - Monocyclic benzene moiety - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Secondary alcohol - Halohydrin - Bromohydrin - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Alcohol - 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