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Home > Imidazoles > 105594-11-4
105594-11-4 | [1,2'-Bi-1H-benzimidazole]-2-sulfonic acid
CAS No: 105594-11-4 Catalog No: AG007E77 MDL No:
Product Description
Catalog Number:
AG007E77
Chemical Name:
[1,2'-Bi-1H-benzimidazole]-2-sulfonic acid
CAS Number:
105594-11-4
Molecular Formula:
C14H10N4O3S
Molecular Weight:
314.3192
IUPAC Name:
1-(1H-benzimidazol-2-yl)benzimidazole-2-sulfonic acid
InChI:
InChI=1S/C14H10N4O3S/c19-22(20,21)14-17-11-7-3-4-8-12(11)18(14)13-15-9-5-1-2-6-10(9)16-13/h1-8H,(H,15,16)(H,19,20,21)
InChI Key:
RCLKOXQUYSGLBT-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1nc2c(n1c1nc3c([nH]1)cccc3)cccc2
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.319g/mol
Monoisotopic Mass:
314.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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