Compound Identification
SMILES
O[C@@H]([C@H]1COCCC1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=BGELENBKPAVAAD-CMPLNLGQSA-N
Formula
C12H13BrO3
Mass
285.137
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Bromobenzenes
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Subclass
Halobenzenes
-
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
Bromobenzenes
Alternative Parents
Oxanes Aryl bromides Secondary alcohols Cyclic ketones Oxacyclic compounds Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Aromatic alcohols Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Aryl bromide - Aryl halide - Oxane - Ketone - Secondary alcohol - Cyclic ketone - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Aldehyde - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors
Not available