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CHEBI:132055 - flufenpyr

ChEBI IDCHEBI:132055
ChEBI Nameflufenpyr
Stars
DefinitionA ring assembly that is phenoxyacetic acid in which the phenyl group has been substituted at position 2 by chlorine, position 4 by fluorine, and position 5 by a 5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1(6H)-yl group. Its esters, particularly the ethyl ester (flufenpyr-ethyl), are used as contact herbicides for the control of broad-leaved weeds.
Last Modified8 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H9ClF4N2O4
Net Charge0
Average Mass380.681
Monoisotopic Mass380.01870
SMILESCc1c(C(F)(F)F)cnn(-c2cc(OCC(=O)O)c(Cl)cc2F)c1=O
InChIInChI=1S/C14H9ClF4N2O4/c1-6-7(14(17,18)19)4-20-21(13(6)24)10-3-11(25-5-12(22)23)8(15)2-9(10)16/h2-4H,5H2,1H3,(H,22,23)
InChIKeyWFZSZAXUALBVNX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor  An EC 1.3.3.* (oxidoreductase acting on donor CH-CH group with oxygen as acceptor) inhibitor that interferes with the action of protoporphyrinogen oxidase (EC 1.3.3.4).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
flufenpyr (CHEBI:132055) has role EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor (CHEBI:73192)
flufenpyr (CHEBI:132055) has role herbicide (CHEBI:24527)
flufenpyr (CHEBI:132055) is a aromatic ether (CHEBI:35618)
flufenpyr (CHEBI:132055) is a monocarboxylic acid (CHEBI:25384)
flufenpyr (CHEBI:132055) is a monochlorobenzenes (CHEBI:83403)
flufenpyr (CHEBI:132055) is a monofluorobenzenes (CHEBI:83575)
flufenpyr (CHEBI:132055) is a pyridazinone (CHEBI:26414)
Incoming Relation(s)
flufenpyr-ethyl (CHEBI:132056) has functional parent flufenpyr (CHEBI:132055)
IUPAC Name 
{2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1(6H)-yl]phenoxy}acetic acid
Synonyms  Source
2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl]phenoxy]acetic acidAlan Wood's Pesticides
2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetic acidAlan Wood's Pesticides
S-3153 acidChEBI
Manual XrefsDatabases
flufenpyrAlan Wood's Pesticides
Registry NumbersSources
Reaxys:15733351Reaxys
CAS:188490-07-5Alan Wood's Pesticides
CAS:188490-07-5ChemIDplus