sodium;6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide


Chemical Name: sodium;6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide
CAS Number: 138786-67-1
Product Number: AG0019K2(AGN-PC-047CG7)
Synonyms:
MDL No:
Molecular Formula: C16H15F2N3NaO4S
Molecular Weight: 406.3596

Identification/Properties


Computed Properties
Molecular Weight:
405.352g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
7
Exact Mass:
405.057g/mol
Monoisotopic Mass:
405.057g/mol
Topological Polar Surface Area:
90.8A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
497
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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