Compound Identification
SMILES
FC1=C(C=C(Br)C=C1)C(=O)OC[C@@H]1CCCCO1
InChIKey
InChIKey=YANCEKPNHXOWDQ-JTQLQIEISA-N
Formula
C13H14BrFO3
Mass
317.154
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Fluorobenzenes Oxanes Aryl fluorides Aryl bromides Vinylogous halides Carboxylic acid esters Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Oxane - Aryl halide - Aryl fluoride - Aryl bromide - Vinylogous halide - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organobromide - Organofluoride - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available