Compound Identification
SMILES
CCCN(CCC)C(=O)C1=C(Cl)C(O)=C(O)C=C1
InChIKey
InChIKey=FRQTUIILLVQVKA-UHFFFAOYSA-N
Formula
C13H18ClNO3
Mass
271.74
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
3-chlorocatechols Benzamides Benzoyl derivatives M-chlorophenols O-chlorophenols 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-chlorocatechol - Benzamide - Chlorocatechol - Benzoyl - Catechol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - Phenol - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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