1H-Benzimidazole-5-sulfonic Acid - CAS 27503-78-2
Catalog: |
BB072503 |
Product Name: |
1H-Benzimidazole-5-sulfonic Acid |
CAS: |
27503-78-2 |
Synonyms: |
1H-Benzimidazole-5-sulfonic acid; 3H-benzimidazole-5-sulfonic acid; 1H-Benzo[d]imidazole-5-sulfonic acid; 1H-1,3-benzodiazole-5-sulfonic acid; 5-Benzimidazolesulfonic acid; benzimidazole-5-sulfonic acid; 1H-Benzimidazole-6-sulfonicacid |
IUPAC Name: | 3H-benzimidazole-5-sulfonic acid |
Molecular Weight: | 198.19 |
Molecular Formula: | C7H6N2O3S |
Canonical SMILES: | C1=CC2=C(C=C1S(=O)(=O)O)NC=N2 |
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 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.00991323 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.00991323 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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