ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate


Chemical Name: ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate
CAS Number: 103112-35-2
Product Number: AG008RAN(AGN-PC-0KO6OV)
Synonyms:
MDL No:
Molecular Formula: C12H8Cl5N3O2
Molecular Weight: 403.47582

Identification/Properties


Computed Properties
Molecular Weight:
403.465g/mol
XLogP3:
5.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
402.903g/mol
Monoisotopic Mass:
400.906g/mol
Topological Polar Surface Area:
57A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
409
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
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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