Compound Identification
SMILES
FC1=CC(SCC(=O)NNC(=O)C2=CC=CC=C2Br)=C(F)C=C1
InChIKey
InChIKey=GZJSFAOBWQDULG-UHFFFAOYSA-N
Formula
C15H11BrF2N2O2S
Mass
401.23
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
Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous halides Carboxylic acid hydrazides Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid hydrazide - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organobromide - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic 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