1H-Pyrazole-4-propanoic acid, 3-(4-chlorophenyl)-1-phenyl-


Chemical Name: 1H-Pyrazole-4-propanoic acid, 3-(4-chlorophenyl)-1-phenyl-
CAS Number: 108446-79-3
Product Number: AG003I41(AGN-PC-00NE09)
Synonyms:
MDL No:
Molecular Formula: C18H15ClN2O2
Molecular Weight: 326.7769

Identification/Properties


Computed Properties
Molecular Weight:
326.78g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
326.082g/mol
Monoisotopic Mass:
326.082g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
393
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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