clofencet (CHEBI:133104)

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ChEBI Name	clofencet

ChEBI ID	CHEBI:133104

Definition	A pyridazinone that is 1-(p-chlorophenyl)pyridazin-4-one which is substituted at positione 5 and 6 by carboxy and ethyl groups, respectively. It is used (particularly as the potassium salt, known as clofencet-potassium) as a chemical hybridisation agent for commercial hybrid seed production. It is not approved for use within the European Union.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H11ClN2O3

Net Charge

Average Mass

278.691

Monoisotopic Mass

278.04582

InChI

InChI=1S/C13H11ClN2O3/c1-2-10-12(13(18)19)11(17)7-15-16(10)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3,(H,18,19)

InChIKey

PIZCXVUFSNPNON-UHFFFAOYSA-N

SMILES

N=1N(C(=C(C(C1)=O)C(=O)O)CC)C2=CC=C(C=C2)Cl

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	chemical hybridisation agent A plant growth regulator that produces male sterility in plants by preventing pollen development, pollen shed, or pollen viability. This makes the plant adaptable to hybridization without the need for laborious hand pollination.

ChEBI Ontology
Outgoing	clofencet (CHEBI:133104) has role chemical hybridisation agent (CHEBI:133106) clofencet (CHEBI:133104) is a biaryl (CHEBI:64459) clofencet (CHEBI:133104) is a monocarboxylic acid (CHEBI:25384) clofencet (CHEBI:133104) is a monochlorobenzenes (CHEBI:83403) clofencet (CHEBI:133104) is a pyridazinone (CHEBI:26414) clofencet (CHEBI:133104) is conjugate acid of clofencet(1−) (CHEBI:133107)

Incoming	clofencet(1−) (CHEBI:133107) is conjugate base of clofencet (CHEBI:133104)

IUPAC Name

2-(4-chlorophenyl)-3-ethyl-5-oxo-2,5-dihydropyridazine-4-carboxylic acid

Synonyms	Sources
2-(4-chlorophenyl)-3-ethyl-2,5-dihydro-5-oxo-4-pyridazinecarboxylic acid	Alan Wood's Pesticides
2-(4-chlorophenyl)-3-ethyl-2,5-dihydro-5-oxopyridazine-4-carboxylic acid	Alan Wood's Pesticides
2-(p-chlorophenyl)-3-ethyl-2,5-dihydro-5-oxo-4-pyridazinecarboxylic acid	ChEBI
2-(p-chlorophenyl)-3-ethyl-2,5-dihydro-5-oxopyridazine-4-carboxylic acid	ChEBI
2-(p-chlorophenyl)-3-ethyl-5-oxo-2,5-dihydropyridazine-4-carboxylic acid	ChEBI

Last Modified

22 August 2016