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Tolfenpyrad 200mg

CAT: 0628-A21117-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A21117-200Size:200 mg
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CAS Number
129558-76-5

Chemical Information

Tolfenpyrad

Tolfenpyrad is an aromatic amide obtained by formal condensation of the carboxy group of 4-chloro-3-ethyl-1-methylpyrazole-5-carboxylic acid with the amino group of 1-[4-(4-methylphenoxy)phenyl]methylamine. It has a role as an agrochemical, an antifungal agent, a mitochondrial NADH:ubiquinone reductase inhibitor and an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor. It is a pyrazole insecticide, an aromatic ether, an organochlorine compound and an aromatic amide.

CAS Number129558-76-5
PubChem CID10110536
IUPAC Name4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
Molecular FormulaC21H22ClN3O2
Molecular Weight383.9
XLogP4.7
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity476
SMILES
CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C
InChI
InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKey
WPALTCMYPARVNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tolfenpyrad
CAS: 129558-76-5
CID: 10110536
Formula: C21H22ClN3O2
MW: 383.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.9
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass383.1400546
Monoisotopic Mass383.1400546
Topological Polar Surface Area56.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity476
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

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