Compound Identification
SMILES
BrC(=C1OC(=O)C2=CC=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=MTRRVZKKXVBIFP-UHFFFAOYSA-N
Formula
C15H9BrO2
Mass
301.139
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isocoumarans
- Subclass Isobenzofuranones
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Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Isobenzofuranones
Alternative Parents
Benzene and substituted derivatives Enol esters Lactones Vinyl bromides Oxacyclic compounds Bromoalkenes Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isobenzofuranone - Monocyclic benzene moiety - Benzenoid - Enol ester - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Vinyl bromide - Vinyl halide - Bromoalkene - Haloalkene - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isobenzofuranones. These are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position.
External Descriptors
Not available