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Oxyfluorfen-d5

CAT: 0804-HY-W725473Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W725473Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Oxyfluorfen-d5 is deuterated labeled Oxyfluorfen Oxyfluorfen is a pre- and post-emergence diphenyl ether herbicide to control annual broad-leaved and grass weeds. Oxyfluorfen is a protoporphyrinogen oxidase inhibitor and inhibits photosynthesis by blocking chlorophyll synthesis.
CAS Number
2140327-69-9
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[O-][N+](C1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)OC(C([2H])([2H])[2H])([2H])[2H])=O
Molecular Formula
C15H6D5ClF3NO4
Molecular Weight
366.73
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]E Warabi, et al. Resistance of a Soybean Cell Line to Oxyfluorfen by Overproduction of Mitochondrial Protoporphyrinogen Oxidase. Pest Manag Sci. 2001 Aug;57 (8) :743-8.|[3]Chi Wu, et al. Sorption, Degradation and Bioavailability of Oxyfluorfen in Biochar-Amended Soils. Sci Total Environ. 2019 Mar 25;658:87-94.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Oxyfluorfen-d5
CAS Number2140327-69-9
PubChem CID124203199
IUPAC Name2-chloro-1-[4-nitro-3-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]-4-(trifluoromethyl)benzene
Molecular FormulaC15H11ClF3NO4
Molecular Weight366.73
XLogP4.7
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity432
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3/i1D3,2D2
InChIKey
OQMBBFQZGJFLBU-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of Oxyfluorfen-d5
CAS: 2140327-69-9
CID: 124203199
Formula: C15H11ClF3NO4
MW: 366.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.73
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass366.0642537
Monoisotopic Mass366.0642537
Topological Polar Surface Area64.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity432
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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