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Home > Imidazoles > 68444-03-1
68444-03-1 | sodium 2-heptadecyl-1-methyl-1H-benzimidazole-7-sulphonate
CAS No: 68444-03-1 Catalog No: AG00FZZ2 MDL No:
Product Description
Catalog Number:
AG00FZZ2
Chemical Name:
sodium 2-heptadecyl-1-methyl-1H-benzimidazole-7-sulphonate
CAS Number:
68444-03-1
IUPAC Name:
sodium;2-heptadecyl-3-methylbenzimidazole-4-sulfonate
InChI:
InChI=1S/C25H42N2O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26-22-19-18-20-23(31(28,29)30)25(22)27(24)2;/h18-20H,3-17,21H2,1-2H3,(H,28,29,30);/q;+1/p-1
InChI Key:
QLIHKCFMDGTQNZ-UHFFFAOYSA-M
EC Number:
270-575-2
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.274g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.664g/mol
Monoisotopic Mass:
472.274g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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