Compound Identification
SMILES
OC1=C(Br)C=C(C=C(C#N)C2=CN=CC=C2)C=C1Br
InChIKey
InChIKey=XMCKIJJZPDULJN-UHFFFAOYSA-N
Formula
C14H8Br2N2O
Mass
380.039
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Halophenols
-
Level 5
Bromophenols
- Level 6 O-bromophenols
-
Level 5
Bromophenols
-
Subclass
Halophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Bromophenols
Direct Parent
O-bromophenols
Alternative Parents
Bromobenzenes Pyridines and derivatives Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-bromophenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-bromophenols. These are bromophenols carrying a iodine at the C2 position of the benzene ring.
External Descriptors
Not available