Compound Identification
SMILES
CC1=CC=C(C=C1)[C@H](CNC(=O)C1=CC=CC=C1Br)OCCO
InChIKey
InChIKey=IXTVXAJLWNKOPP-KRWDZBQOSA-N
Formula
C18H20BrNO3
Mass
378.266
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzylethers Benzamides Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Vinylogous halides Secondary carboxylic acid amides Dialkyl ethers Primary alcohols Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzylether - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Primary alcohol - Organohalogen compound - Organobromide - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available