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CHEBI:108541 - 4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester

ChEBI IDCHEBI:108541
ChEBI Name4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC15H18BrClN2O4
Net Charge0
Average Mass405.676
Monoisotopic Mass404.01385
SMILESCCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H18BrClN2O4/c1-2-22-15(21)19-7-5-18(6-8-19)14(20)10-23-13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3
InChIKeyFHXLTHHWLKREEX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:108541) is a piperazinecarboxylic acid (CHEBI:48683)
Manual XrefsDatabases
LSM-19915LINCS