6-(difluoromethoxy)-2-[(3,4-dimethoxy-1-oxidopyridin-1-ium-2-yl)methylsulfanyl]-1H-benzimidazole


Chemical Name: 6-(difluoromethoxy)-2-[(3,4-dimethoxy-1-oxidopyridin-1-ium-2-yl)methylsulfanyl]-1H-benzimidazole
CAS Number: 953787-51-4
Product Number: AG006593(AGN-PC-046X2E)
Synonyms:
MDL No:
Molecular Formula: C16H15F2N3O4S
Molecular Weight: 383.3698

Identification/Properties


Properties
MP:
124-127˚C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
383.37g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
7
Exact Mass:
383.075g/mol
Monoisotopic Mass:
383.075g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
454
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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