Pyraflufen-ethyl

CAT: 0862-GW5777-10mgSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0862-GW5777-10mgSize:10 mg

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CAS Number

129630-19-9

Storage Conditions

+4°C

Hazardous Class

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Chemical Information

Pyraflufen-ethyl

Pyraflufen-ethyl is an ethyl ester resulting from the formal condensation of the carboxy group of pyraflufen with ethanol. A proherbicide for pyraflufen, it is used for the control of broad-leaved weeds and grasses in a variety of crops. It has a role as a proherbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an ethyl ester, a member of pyrazoles, an aromatic ether, a biaryl, a member of monochlorobenzenes and a member of monofluorobenzenes. It is functionally related to a pyraflufen.

CAS Number	129630-19-9
PubChem CID	182951
IUPAC Name	ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
Molecular Formula	C15H13Cl2F3N2O4
Molecular Weight	413.2
XLogP	4.8
Topological Polar Surface Area	62.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	480

SMILES

CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl

InChI

InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3

InChIKey

APTZNLHMIGJTEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129630-19-9

CID: 182951

Formula: C15H13Cl2F3N2O4

MW: 413.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	413.2
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	412.0204468
Monoisotopic Mass	412.0204468
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	480
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-126922-01	Pyraflufen-ethyl
HY-126922R-01	Pyraflufen-ethyl (Standard)
T212569-01	Pyraflufen
LCS-6024-ACN	1000 ug/mL Pyraflufen-ethyl in HPLC AcentonitrileVolume: 1mL Ampule ANALYZED BY LCMS INSTRUMENTATION
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
RG-A261999-01	Ethyl Ethyl-D-Prolinate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
OR1057866-01	Ethyl ethyl (methyl) carbamate

Pyraflufen-ethyl

Chemical Information

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