potassium;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-3H-benzimidazol-5-olate


Chemical Name: potassium;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-3H-benzimidazol-5-olate
CAS Number: 1329613-29-7
Product Number: AG009E59(AGN-PC-0BSKC1)
Synonyms:
MDL No:
Molecular Formula: C16H13F3KN3O3S
Molecular Weight: 423.4512296

Identification/Properties


Computed Properties
Molecular Weight:
423.452g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
5
Exact Mass:
423.027g/mol
Monoisotopic Mass:
423.027g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
517
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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