Compound Identification
SMILES
CC1=C(CCBr)C2=C(O1)C(OCC([O-])=O)=CC=C2
InChIKey
InChIKey=DJXBKDAUZSHKSZ-UHFFFAOYSA-M
Formula
C13H12BrO4
Mass
312.14
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Benzofurans Alkyl aryl ethers Heteroaromatic compounds Furans Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Benzofuran - Alkyl aryl ether - Heteroaromatic compound - Furan - Carboxylic acid salt - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl bromide - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alkyl halide - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available