CHEBI:81895 - Bromethalin

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ChEBI Name Bromethalin
ChEBI ID CHEBI:81895
Stars This entity has been manually annotated by a third party.
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Formula C14H7Br3F3N3O4
Net Charge 0
Average Mass 577.93000
Monoisotopic Mass 574.79388
InChI InChI=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
InChIKey USMZPYXTVKAYST-UHFFFAOYSA-N
SMILES CN(c1c(Br)cc(Br)cc1Br)c1c(cc(cc1C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O
ChEBI Ontology
Outgoing Bromethalin (CHEBI:81895) is a C-nitro compound (CHEBI:35716)
Manual Xrefs Databases
90 PPDB
C18697 KEGG COMPOUND
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Registry Number Type Source
63333-35-7 CAS Registry Number KEGG COMPOUND