Compound Identification
SMILES
ClC1=CC=CC=C1C(=O)OCC(=O)C1=CC=C(C=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=RNYSJZRERPQZGG-UHFFFAOYSA-N
Formula
C21H14BrClO3
Mass
429.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Brominated biphenyls
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Subclass
Biphenyls and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Brominated biphenyls
Alternative Parents
Alkyl-phenylketones Benzoic acid esters 2-halobenzoic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Vinylogous halides Carboxylic acid esters Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Brominated biphenyl - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Halobenzene - Chlorobenzene - Bromobenzene - Aryl chloride - Aryl bromide - Aryl halide - Vinylogous halide - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.
External Descriptors
Not available