Compound Identification
SMILES
[O-][N+](=O)C1=C(C=C(Cl)C=C1)C(=O)NC1=NC(=CS1)C1=CC=C(F)C=C1
InChIKey
InChIKey=QVEHXFDYLFQRHP-UHFFFAOYSA-N
Formula
C16H9ClFN3O3S
Mass
377.77
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 2,4-disubstituted thiazoles Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic salts Organic zwitterions Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - 2,4-disubstituted 1,3-thiazole - Halobenzene - Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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