EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:121425 - 1-[4-[(2-bromophenyl)-oxomethyl]-1H-pyrrol-2-yl]-2,2,2-trichloroethanone

ChEBI IDCHEBI:121425
ChEBI Name1-[4-[(2-bromophenyl)-oxomethyl]-1H-pyrrol-2-yl]-2,2,2-trichloroethanone
Stars
DownloadsMolfile
FormulaC13H7BrCl3NO2
Net Charge0
Average Mass395.467
Monoisotopic Mass392.87257
SMILESO=C(c1cnc(C(=O)C(Cl)(Cl)Cl)c1)c1ccccc1Br
InChIInChI=1S/C13H7BrCl3NO2/c14-9-4-2-1-3-8(9)11(19)7-5-10(18-6-7)12(20)13(15,16)17/h1-6,18H
InChIKeyARLGWSBOWGUQGF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[4-[(2-bromophenyl)-oxomethyl]-1H-pyrrol-2-yl]-2,2,2-trichloroethanone (CHEBI:121425) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-32868LINCS