Compound Identification
SMILES
OC(=O)C1=CC=CC(=N1)C1=CC=CC=C1C1=C(OCC2=C(F)C=C(Br)C=C2)C=CC(Cl)=C1
InChIKey
InChIKey=XXRNACAEFNCEJB-UHFFFAOYSA-N
Formula
C25H16BrClFNO3
Mass
512.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Chlorinated biphenyls
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Subclass
Biphenyls and derivatives
-
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
Chlorinated biphenyls
Alternative Parents
Phenylpyridines Pyridinecarboxylic acids Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Fluorobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorinated biphenyl - 2-phenylpyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Bromobenzene - Aryl bromide - Pyridine - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
External Descriptors
Not available