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Home > Imidazoles > 66371-08-2
66371-08-2 | 2-(6-methoxybenzoxazol-2-yl)-1,3-dimethyl-1H-benzimidazolium methyl sulphate
CAS No: 66371-08-2 Catalog No: AG00FXQJ MDL No:
Product Description
Catalog Number:
AG00FXQJ
Chemical Name:
2-(6-methoxybenzoxazol-2-yl)-1,3-dimethyl-1H-benzimidazolium methyl sulphate
CAS Number:
66371-08-2
IUPAC Name:
2-(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)-6-methoxy-1,3-benzoxazole;methyl sulfate
InChI:
InChI=1S/C17H17N3O2.CH4O4S/c1-19-13-6-4-5-7-14(13)20(2)17(19)16-18-12-9-8-11(21-3)10-15(12)22-16;1-5-6(2,3)4/h4-10,17H,1-3H3;1H3,(H,2,3,4)
InChI Key:
BJSXXSRDYQSJBF-UHFFFAOYSA-N
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.115g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.441g/mol
Monoisotopic Mass:
407.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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