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68228-08-0 | 2-heptadecyl-1H-benzimidazolesulphonic acid
CAS No: 68228-08-0 Catalog No: AG00FR87 MDL No:
Product Description
Catalog Number:
AG00FR87
Chemical Name:
2-heptadecyl-1H-benzimidazolesulphonic acid
CAS Number:
68228-08-0
IUPAC Name:
2-heptadecyl-1H-benzimidazole-4-sulfonic acid
InChI:
InChI=1S/C24H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-21-18-17-19-22(24(21)26-23)30(27,28)29/h17-19H,2-16,20H2,1H3,(H,25,26)(H,27,28,29)
InChI Key:
IYPGVIQTKUUMCD-UHFFFAOYSA-N
EC Number:
269-403-9
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.276g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.655g/mol
Monoisotopic Mass:
436.276g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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