Compound Identification
SMILES
ClC1=CC=CC=C1C(=O)O\N=C1/CSCC2=CC=CC=C12
InChIKey
InChIKey=MWCIRKKYGMGUEU-OBGWFSINSA-N
Formula
C16H12ClNO2S
Mass
317.79
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
Isothiochromanes 2-benzothiopyrans Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Oxime esters Dialkylthioethers Carboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isothiochromane - 2-halobenzoic acid or derivatives - 2-benzothiopyran - Benzothiopyran - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Oximester - Carboxylic acid derivative - Organoheterocyclic compound - Dialkylthioether - Thioether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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