Compound Identification
SMILES
COC1=C(Cl)C(Br)=C(OC)C(C(N)=O)=C1OC
InChIKey
InChIKey=JPKKSCPJVQMJRO-UHFFFAOYSA-N
Formula
C10H11BrClNO4
Mass
324.56
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
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzamides 1-bromo,2-chlorobenzenes Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Primary carboxylic acid amides Organobromides Organopnictogen compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - 1,2-dihalobenzene - 1-bromo,2-chlorobenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl bromide - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available