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  • Tolfenpyrad
Name:Tolfenpyrad
CAS No:129558-76-5

PRODUCT DESCRIPTION

【Name】
1H-Pyrazole-5-carboxamide,4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-
【Iupac name】
4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-
3-carboxamide
【CAS Registry number】
129558-76-5
【Synonyms】
4-Chloro-3-ethyl-1-methyl-N-[4-(p-tolyloxy)benzyl]pyrazole-5-carboxamide
4-Chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
Hachihachi EC
NAI 2302
OMI 88
Tolfenpyrad
【Molecular Formula】
C21H22ClN3O2 (Products with the same molecular formula)
【Molecular Weight】
383.87
【Inchi】
InChI=1/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
【Canonical SMILES】
CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C
【MOL File】
129558-76-5.mol

Chemical and Physical Properties

【Density】
1.21g/cm3
【Boiling Point】
540°Cat760mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.6
【Flash Point】
280.4°C
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:383.87128 [g/mol]
Molecular Formula:C21H22ClN3O2
XLogP3-AA:4.7
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:383.140055
MonoIsotopic Mass:383.140055
Topological Polar Surface Area:56.2
Heavy Atom Count:27
Formal Charge:0
Complexity:476
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:144

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