Compound Identification
SMILES
CC1=C(OCC2CO2)C(=CC(Br)=C1)C(N)=O
InChIKey
InChIKey=TWXDZXRKESXXCF-UHFFFAOYSA-N
Formula
C11H12BrNO3
Mass
286.125
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
3-halobenzoic acids and derivatives
Alternative Parents
m-Toluamides Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Primary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Epoxides Organic oxides Organobromides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - M-toluamide - Toluamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Carboxamide group - Primary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available