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Fluopicolide

CAT: 0804-HY-W420336-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W420336-02Size:100 mg
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Description
Fluopicolide is the active compound.
CAS Number
239110-15-7
UNSPSC
12352005
Hazard Statement
H400
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/fluopicolide.html
Smiles
O=C(C1=C(Cl)C=CC=C1Cl)NCC2=NC=C(C(F)(F)F)C=C2Cl
Molecular Formula
C14H8Cl3F3N2O
Molecular Weight
383.58
Precautions
P273-P391-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fluopicolide

Fluopicolide is a member of the class of benzamides obtained by formal condensation of the carboxy group of 2,6-dichlorobenzoic acid with the amino group of [3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylamine. A fungicide used for the control of a range of diseases including downy mildew and blight. It has a role as an antifungal agrochemical. It is a member of benzamides, a dichlorobenzene, an organofluorine compound, a monochloropyridine and a benzamide fungicide.

CAS Number239110-15-7
PubChem CID11159021
IUPAC Name2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
Molecular FormulaC14H8Cl3F3N2O
Molecular Weight383.6
XLogP4.4
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity415
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)
InChIKey
GBOYJIHYACSLGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluopicolide
CAS: 239110-15-7
CID: 11159021
Formula: C14H8Cl3F3N2O
MW: 383.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.6
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass381.965430
Monoisotopic Mass381.965430
Topological Polar Surface Area42 Ų
Heavy Atom Count23
Formal Charge0
Complexity415
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

Related Products

CatalogName
HY-W420337-01Fluopimomide

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CatalogName
TRC-F595168-500MGFluopicolide
TRC-F595169-10MGFluopicolide-d3

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