Compound Identification
SMILES
CC1=CC=C(S1)[B-]1(OC(C)(C)C(C)(C)O1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=DWEYZWRAPWVVAR-UHFFFAOYSA-N
Formula
C17H21BClO2S
Mass
335.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
2,5-disubstituted thiophenes Aryl chlorides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organochlorides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Thiophene - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic metalloid moeity - Organochloride - Organooxygen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available