CHEBI:81895 - Bromethalin

ChEBI IDCHEBI:81895
ChEBI NameBromethalin
Stars
DownloadsMolfile
FormulaC14H7Br3F3N3O4
Net Charge0
Average Mass577.933
Monoisotopic Mass574.79388
SMILESCN(c1c(Br)cc(Br)cc1Br)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C14H7Br3F3N3O4/c1-21(13-9(16)2-6(15)3-10(13)17)12-8(14(18,19)20)4-7(22(24)25)5-11(12)23(26)27/h2-5H,1H3
InChIKeyUSMZPYXTVKAYST-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Bromethalin (CHEBI:81895) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
C18697KEGG COMPOUND
90PPDB
Registry NumbersSources
CAS:63333-35-7KEGG COMPOUND