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Fenoxaprop-P-ethyl

CAT: 0804-HY-B2013-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-B2013-01Size:1 g
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Description
Fenoxaprop-P-ethyl is a phenoxy propionic acid herbicide with a heterocyclic epoxide structure.
CAS Number
71283-80-2
UNSPSC
12352005
Hazard Statement
H317
Target
Herbicide
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Fenoxaprop-P-ethyl.html
Concentration
10mM
Purity
99.55
Solubility
DMSO : ≥ 100 mg/mL
Smiles
C[C@@H](OC1=CC=C(OC2=NC3=CC=C(Cl)C=C3O2)C=C1)C(OCC)=O
Molecular Formula
C18H16ClNO5
Molecular Weight
361.78
Precautions
H317
References & Citations
[1]Zawahir S, et al. Acute intentional self-poisoning with a herbicide product containing fenoxaprop-P-ethyl, ethoxysulfuron, andisoxadifen ethyl: a prospective observational study. Clin Toxicol (Phila) . 2009 Sep;47 (8) :792-797.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fenoxaprop-P-ethyl

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CAS Number71283-80-2
PubChem CID91707
IUPAC Nameethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
Molecular FormulaC18H16ClNO5
Molecular Weight361.8
XLogP4.1
Topological Polar Surface Area70.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity443
SMILES
CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
InChI
InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKey
PQKBPHSEKWERTG-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Fenoxaprop-P-ethyl
CAS: 71283-80-2
CID: 91707
Formula: C18H16ClNO5
MW: 361.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.8
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass361.0717003
Monoisotopic Mass361.0717003
Topological Polar Surface Area70.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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