Compound Identification
SMILES
ONC1=C(F)C=C(C=C1)C(=O)NC1=CN=C(Cl)C=C1
InChIKey
InChIKey=CXSQKKKLJQHDGP-UHFFFAOYSA-N
Formula
C12H9ClFN3O2
Mass
281.67
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
Benzamides 1-hydroxylamino, 2-unsubstituted benzenoids Arylhydroxamates N-phenylhydroxylamines Benzoyl derivatives 2-halopyridines Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides N-organohydroxylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Arylhydroxamate - Benzoyl - 2-halopyridine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - N-organohydroxylamine - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - 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