5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(trideuteriomethyl)pyrazole-3-carboxylic acid


Chemical Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(trideuteriomethyl)pyrazole-3-carboxylic acid
CAS Number: 162758-35-2
Product Number: AG001TE6(AGN-PC-0CPIUC)
Synonyms:
MDL No:
Molecular Formula: C17H11Cl3N2O2
Molecular Weight: 381.6404

Identification/Properties


Computed Properties
Molecular Weight:
381.637g/mol
XLogP3:
5.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
379.989g/mol
Monoisotopic Mass:
379.989g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
459
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


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