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1022083-88-0 | 1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, magnesium salt (2:1)
CAS No: 1022083-88-0 Catalog No: AG0006X9 MDL No:
Product Description
Catalog Number:
AG0006X9
Chemical Name:
1H-Benzimidazole, 6-(difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl]-, magnesium salt (2:1)
CAS Number:
1022083-88-0
Molecular Formula:
C32H30F4MgN6O8S2
Molecular Weight:
791.0446
IUPAC Name:
magnesium;5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide
InChI:
InChI=1S/2C16H14F2N3O4S.Mg/c2*1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h2*3-7,15H,8H2,1-2H3;/q2*-1;+2
InChI Key:
RDRUTBCDIVCMMX-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F.COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Mg]
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
788.12g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
789.029g/mol
Monoisotopic Mass:
788.12g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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