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Diflufenican

CAT: 1299-RG-A260936-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260936-02Size:25 mg
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CAS Number
83164-33-4
Synonyms
Diflufenican
Molecular Formula
C19H11F5N2O2
Molecular Weight
394.29
Target Alternative Name
Diflufenican
Product Name Synonym
Diflufenican

Chemical Information

Diflufenican

Diflufenican is a pyridinecarboxamide that is pyridine-3-carboxamide substituted by a 2,4-difluorophenyl group at the carbamoyl nitrogen and a 3-(trifluoromethyl)phenoxy group at position 2. It has a role as a carotenoid biosynthesis inhibitor, a herbicide, a xenobiotic and an environmental contaminant. It is a pyridinecarboxamide, an aromatic ether and a member of (trifluoromethyl)benzenes.

CAS Number83164-33-4
PubChem CID91735
IUPAC NameN-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
Molecular FormulaC19H11F5N2O2
Molecular Weight394.3
XLogP4.6
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity533
SMILES
C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F
InChI
InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
InChIKey
WYEHFWKAOXOVJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diflufenican
CAS: 83164-33-4
CID: 91735
Formula: C19H11F5N2O2
MW: 394.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.3
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass394.07406841
Monoisotopic Mass394.07406841
Topological Polar Surface Area51.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-M-58314Diflufenican
TRC-D445642-5MGDiflufenican-d3
S-1538Diflufenican - 1ML
HY-W040206R-01Diflufenican (Standard)
MBS5781803Isoproturon-diflufenican mixt.
AR-D07064-01N-Nitroso Diflufenican

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