Compound Identification
SMILES
CCCCCC1=NN(C(=O)C2=CC=CC=C2Cl)C(O)(C1)C(F)(F)F
InChIKey
InChIKey=KJIBYRJWNMVMMJ-UHFFFAOYSA-N
Formula
C16H18ClF3N2O2
Mass
362.78
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Pyrazolines N-alkylated hydrazones Fluorohydrins Alkanolamines Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrazoline - Vinylogous halide - Fluorohydrin - Halohydrin - N-alkylated hydrazone - Azacycle - Alkanolamine - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available