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Home > Imidazoles > 1071368-98-3
1071368-98-3 | 4-methyl-1H-benzimidazole-2-sulfonic acid
CAS No: 1071368-98-3 Catalog No: AG00HAWZ MDL No:MFCD11696447
Product Description
Catalog Number:
AG00HAWZ
Chemical Name:
4-methyl-1H-benzimidazole-2-sulfonic acid
CAS Number:
1071368-98-3
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
MDL Number:
MFCD11696447
IUPAC Name:
4-methyl-1H-benzimidazole-2-sulfonic acid
InChI:
InChI=1S/C8H8N2O3S/c1-5-3-2-4-6-7(5)10-8(9-6)14(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13)
InChI Key:
BKHHQZSDBCGKCD-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1nc([nH]2)S(=O)(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.223g/mol
Monoisotopic Mass:
212.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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