Compound Identification
SMILES
[O-][N+](=O)C1=C(NC2=C(Cl)C=C(C=C2Br)C(F)(F)F)C(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=ZQQNSGQLQSENKR-UHFFFAOYSA-N
Formula
C14H4BrCl2F6N3O4
Mass
543.0
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
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Subclass
Aniline and substituted anilines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Dinitroanilines
Alternative Parents
Trifluoromethylbenzenes Nitrobenzenes 2-bromoanilines Nitroaromatic compounds Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organofluorides Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - 2-bromoaniline - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organonitrogen compound - Organobromide - Organohalogen compound - Organochloride - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organofluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors
Not available