Compound Identification
SMILES
C[C@@H]1CCC[C@@H]2C1=NN(C(=O)C1=CC=C(Br)C=C1)[C@@]2(O)C(F)(F)F
InChIKey
InChIKey=WLNPEZRBRLGEEH-BCQZVRRWSA-N
Formula
C16H16BrF3N2O2
Mass
405.215
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 Bromobenzenes Aryl bromides Pyrazolines N-alkylated hydrazones Fluorohydrins Carboxylic acids and derivatives Azacyclic compounds Alkanolamines Organopnictogen compounds Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Pyrazoline - N-alkylated hydrazone - Halohydrin - Fluorohydrin - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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