Compound Identification
SMILES
Cl.CCC(C)NCCO.OC(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=RXWPRVXTVXKYGY-UHFFFAOYSA-N
Formula
C13H21Cl2NO3
Mass
310.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
-
Level 5
Halobenzoic acids and 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
Halobenzoic acids
Alternative Parents
2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous halides 1,2-aminoalcohols Dialkylamines Primary alcohols Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
2-halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - 1,2-aminoalcohol - Secondary amine - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrochloride - Organooxygen compound - Alcohol - Hydrocarbon derivative - Amine - Primary alcohol - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors
Not available