Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(S1)\C=N/NC(=O)C1=C(F)C=CC(F)=C1
InChIKey
InChIKey=SKWGDKRVNTXJKX-UUASQNMZSA-N
Formula
C12H7F2N3O3S
Mass
311.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
3-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives 2-nitrothiophenes Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes 2,5-disubstituted thiophenes Aryl fluorides Vinylogous halides Heteroaromatic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Thiophene - Vinylogous halide - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organofluoride - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available