Compound Identification
SMILES
COC(=O)C1=C(NC(=O)C2=CC=C(Br)C=C2)SC=C1C1=CC=C(F)C=C1
InChIKey
InChIKey=PWZKLVXTHUFRCB-UHFFFAOYSA-N
Formula
C19H13BrFNO3S
Mass
434.28
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Thiophene carboxylic acids and derivatives Benzoyl derivatives Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous amides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Organobromides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Thiophene carboxylic acid or derivatives - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available