Compound Identification
SMILES
NC1=NC=NC2=C1NC=N2.OC(=O)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=AVMGZMDYAKNZAH-UHFFFAOYSA-N
Formula
C12H9Cl2N5O2
Mass
326.14
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acids
- Level 6 Dichlorobenzoic acids
-
Level 5
Benzoic acids
-
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
Benzoic acids
Direct Parent
Dichlorobenzoic acids
Alternative Parents
3-halobenzoic acids 4-halobenzoic acids 6-aminopurines Halobenzoic acids Benzoyl derivatives Dichlorobenzenes Aminopyrimidines and derivatives Aryl chlorides Imidolactams Imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Primary amines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
3,4-dichlorobenzoic acid - 6-aminopurine - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - Imidazopyrimidine - Purine - 1,2-dichlorobenzene - Benzoyl - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Pyrimidine - Imidolactam - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dichlorobenzoic acids. These are benzoic acids having two chlorine atoms attached to the carboxylated benzene ring.
External Descriptors
Not available