Compound Identification
SMILES
O[C@]1([C@H]2CCCCC2=NN1C(=O)C1=CC=C(Cl)C=C1)C(F)(F)F
InChIKey
InChIKey=QISJWZAKSAAHGR-SMDDNHRTSA-N
Formula
C15H14ClF3N2O2
Mass
346.73
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Chlorobenzenes Aryl chlorides Pyrazolines N-alkylated hydrazones Fluorohydrins Alkanolamines Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrazoline - Fluorohydrin - Halohydrin - N-alkylated hydrazone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkanolamine - Alkyl halide - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organochloride - Organic oxide - Organofluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available