CHEBI:81988 - Ethalfluralin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ethalfluralin
ChEBI ID CHEBI:81988
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H14F3N3O4
Net Charge 0
Average Mass 333.26320
Monoisotopic Mass 333.09364
InChI InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3
InChIKey PTFJIKYUEPWBMS-UHFFFAOYSA-N
SMILES CCN(CC(C)=C)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
ChEBI Ontology
Outgoing Ethalfluralin (CHEBI:81988) is a C-nitro compound (CHEBI:35716)
Manual Xrefs Databases
271 PPDB
C18827 KEGG COMPOUND
View more database links
Registry Number Type Source
55283-68-6 CAS Registry Number KEGG COMPOUND