Compound Identification
SMILES
[O-][N+](=O)C1=C(NC2=NC(Cl)=C(Br)C=C2C(F)(F)F)C(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=QTXZYQVNTBTNHU-UHFFFAOYSA-N
Formula
C13H3BrCl2F6N4O4
Mass
543.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Nitrobenzenes Polyhalopyridines Aniline and substituted anilines Nitroaromatic compounds 2-halopyridines Aminopyridines and derivatives Chlorobenzenes Aryl bromides Aryl chlorides Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Secondary amines Organic oxoazanium compounds Organobromides Organochlorides Hydrocarbon derivatives Organofluorides Alkyl fluorides Organopnictogen compounds Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Polyhalopyridine - Aniline or substituted anilines - Aminopyridine - 2-halopyridine - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organobromide - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available