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5435-31-4 | 1H-benzoimidazole-2-Sulfonic
CAS No: 5435-31-4 Catalog No: AG00DWJZ MDL No:MFCD01580203
Product Description
Catalog Number:
AG00DWJZ
Chemical Name:
1H-benzoimidazole-2-Sulfonic
CAS Number:
5435-31-4
Molecular Formula:
C7H7N3O2S
Molecular Weight:
197.2144
MDL Number:
MFCD01580203
IUPAC Name:
1H-benzimidazole-2-sulfonamide
InChI:
InChI=1S/C7H7N3O2S/c8-13(11,12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H2,8,11,12)
InChI Key:
XRGHQBXKSHAQRB-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1nc2c([nH]1)cccc2
NSC Number:
21405
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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