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114389-47-8 | 1H-Benzimidazole-1-sulfonic acid, 2-methyl-
CAS No: 114389-47-8 Catalog No: AG000B7R MDL No:
Product Description
Catalog Number:
AG000B7R
Chemical Name:
1H-Benzimidazole-1-sulfonic acid, 2-methyl-
CAS Number:
114389-47-8
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
IUPAC Name:
2-methylbenzimidazole-1-sulfonic acid
InChI:
InChI=1S/C8H8N2O3S/c1-6-9-7-4-2-3-5-8(7)10(6)14(11,12)13/h2-5H,1H3,(H,11,12,13)
InChI Key:
PCENKWKFDHZTHY-UHFFFAOYSA-N
SMILES:
Cc1nc2c(n1S(=O)(=O)O)cccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
212.223g/mol
Monoisotopic Mass:
212.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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