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24939-67-1 | 3H-Pyrazolo[1,5-a]benzimidazole-6-sulfonic acid, 2-heptadecyl-
CAS No: 24939-67-1 Catalog No: AG002PXD MDL No:
Product Description
Catalog Number:
AG002PXD
Chemical Name:
3H-Pyrazolo[1,5-a]benzimidazole-6-sulfonic acid, 2-heptadecyl-
CAS Number:
24939-67-1
Molecular Formula:
C26H41N3O3S
Molecular Weight:
475.6870
IUPAC Name:
2-heptadecyl-3H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid
InChI:
InChI=1S/C26H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-26-27-24-21-23(33(30,31)32)18-19-25(24)29(26)28-22/h18-19,21H,2-17,20H2,1H3,(H,30,31,32)
InChI Key:
PPVCZORCMVDSHM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC1=Nn2c(C1)nc1c2ccc(c1)S(=O)(=O)O
EC Number:
246-541-8
Properties
Complexity:
691
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.287g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.692g/mol
Monoisotopic Mass:
475.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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