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55911-29-0 | 2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-5-(methylsulphonyl)-1H-benzimidazolium methyl sulphate
CAS No: 55911-29-0 Catalog No: AG00E69X MDL No:
Product Description
Catalog Number:
AG00E69X
Chemical Name:
2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-5-(methylsulphonyl)-1H-benzimidazolium methyl sulphate
CAS Number:
55911-29-0
IUPAC Name:
2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonylbenzimidazol-1-ium;methyl sulfate
InChI:
InChI=1S/C19H19N2O4S.CH4O4S/c1-20-15-8-7-14(26(4,22)23)11-16(15)21(2)19(20)18-9-12-5-6-13(24-3)10-17(12)25-18;1-5-6(2,3)4/h5-11H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
AGPWMSCUFHBFPY-UHFFFAOYSA-M
EC Number:
259-895-3
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.082g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.522g/mol
Monoisotopic Mass:
482.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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