Compound Identification
SMILES
FC(F)(F)S(=O)(=O)OC1=CCCCN1C(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=YHYVGKQHEPWOQQ-UHFFFAOYSA-N
Formula
C13H11BrF3NO4S
Mass
414.19
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Trifluoromethanesulfonates Benzoyl derivatives Tetrahydropyridines Bromobenzenes Aryl bromides Sulfonic acid esters Organosulfonic acid esters Vinylogous halides Tertiary carboxylic acid amides Sulfonyls Methanesulfonates Trihalomethanes Ketene acetals Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Trifluoromethanesulfonate - Tetrahydropyridine - Halobenzene - Bromobenzene - Aryl halide - Hydropyridine - Sulfonic acid ester - Organosulfonic acid ester - Aryl bromide - Tertiary carboxylic acid amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous halide - Methanesulfonate - Trihalomethane - Ketene acetal or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available