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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O.O |
|---|---|
| IUPAC Name | 2-phenyl-3H-benzimidazole-5-sulfonic acid;hydrate |
| InChIKey | PNACPZXTLQWNTP-UHFFFAOYSA-N |
| INCHI | 1S/C13H10N2O3S.H2O/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9;/h1-8H,(H,14,15)(H,16,17,18);1H2 |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O.O |
| Alternate CAS | 207853-65-4 |
| PubChem CID | 16212857 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 292.310 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 292.052 Da |
| Monoisotopic Mass | 292.052 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 414.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |