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27503-78-2 | 1H-Benzimidazole-6-sulfonic acid
CAS No: 27503-78-2 Catalog No: AG002TZ3 MDL No:MFCD06617940
Product Description
Catalog Number:
AG002TZ3
Chemical Name:
1H-Benzimidazole-6-sulfonic acid
CAS Number:
27503-78-2
Molecular Formula:
C7H6N2O3S
Molecular Weight:
198.1991
MDL Number:
MFCD06617940
IUPAC Name:
3H-benzimidazole-5-sulfonic acid
InChI:
InChI=1S/C7H6N2O3S/c10-13(11,12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)(H,10,11,12)
InChI Key:
VXLKZBRLFFGAQT-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c(c1)[nH]cn2
NSC Number:
519856
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:
2
Isotope Atom Count:
0
Molecular Weight:
198.196g/mol
Monoisotopic Mass:
198.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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