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114389-46-7 | 1H-Benzimidazole-1-sulfonic acid
CAS No: 114389-46-7 Catalog No: AG000B7S MDL No:
Product Description
Catalog Number:
AG000B7S
Chemical Name:
1H-Benzimidazole-1-sulfonic acid
CAS Number:
114389-46-7
Molecular Formula:
C7H6N2O3S
Molecular Weight:
198.1991
IUPAC Name:
benzimidazole-1-sulfonic acid
InChI:
InChI=1S/C7H6N2O3S/c10-13(11,12)9-5-8-6-3-1-2-4-7(6)9/h1-5H,(H,10,11,12)
InChI Key:
XTNSRWKEQCGCGJ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)n1cnc2c1cccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.196g/mol
Monoisotopic Mass:
198.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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