Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)ON=C1CCSC2=CC=CC=C12
InChIKey
InChIKey=OXQRVHUJZIEIEH-UHFFFAOYSA-N
Formula
C16H12FNO2S
Mass
301.34
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
Thiochromanes 1-benzothiopyrans Benzoyl derivatives Fluorobenzenes Alkylarylthioethers Thiopyrans Aryl fluorides Oxime esters Carboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Benzoyl - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Thiopyran - Oximester - Carboxylic acid derivative - Organoheterocyclic compound - Thioether - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic 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