Compound Identification
SMILES
COC(=O)C1=C(O)C=C(C)C(CCBr)=C1C
InChIKey
InChIKey=HUVJFYKXSQWRDU-UHFFFAOYSA-N
Formula
C12H15BrO3
Mass
287.153
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives m-Xylenes Meta cresols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - M-cresol - M-xylene - Xylene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Methyl ester - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Alkyl halide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Alkyl bromide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available