Compound Identification
SMILES
ClC1=C(C=C(I)C=C1)C(=O)NC1=CC=CC=N1
InChIKey
InChIKey=LHTNCKXQVTXSEP-UHFFFAOYSA-N
Formula
C12H8ClIN2O
Mass
358.56
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
3-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Iodobenzenes Aryl chlorides Imidolactams Pyridines and derivatives Aryl iodides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Imidolactam - Pyridine - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organoiodide - 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