Isoxadifen-ethyl

CAT: 0024-sc-228379Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-228379Size:100 mg

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CAS Number

163520-33-0

Chemical Information

Isoxadifen-ethyl

Isoxadifen-ethyl is an isoxazoline that is the ethyl ester of isoxadifen. It is used as a herbicide safener, especially in conjunction with the herbicides fenoxaprop-P-ethyl and iodosulfuron-methyl-sodium. It is not approved for use within the European Union. It has a role as a herbicide safener and an agrochemical. It is an ethyl ester and an isoxazoline. It is functionally related to an isoxadifen.

CAS Number	163520-33-0
PubChem CID	6451155
IUPAC Name	ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
Molecular Formula	C18H17NO3
Molecular Weight	295.3
XLogP	3.5
Topological Polar Surface Area	47.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	402

SMILES

CCOC(=O)C1=NOC(C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3

InChIKey

MWKVXOJATACCCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 163520-33-0

CID: 6451155

Formula: C18H17NO3

MW: 295.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	295.3
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	295.12084340
Monoisotopic Mass	295.12084340
Topological Polar Surface Area	47.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	402
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
GTR19202461-01	Isoxadifen-ethyl
HY-130361R-01	Isoxadifen-ethyl (Standard)
452778-01	Isoxadifen
OR1003496-01	Ethyl ((2-[ethyl (methyl) aminio]ethyl) ) amine
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
RG-A261999-01	Ethyl Ethyl-D-Prolinate
OR1057866-01	Ethyl ethyl (methyl) carbamate
105440 2.5	Ethyl Chloroformate (Ethyl Chlorocarbonate)

Isoxadifen-ethyl

Chemical Information

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