Benzidine-2,2'-disulfonic acid
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CAS Number 117-61-3
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Catalog Number io-8858
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Classification Acids
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Molecular Weight 344.4000
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SMILES C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)N)S(=O)(=O)O
| Size | QTY | Notes | |
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No description available for this item
| 1 | Benzidine-2,2'-disulfonic acid |
| 2 | 2,2'-Benzidinedisulfonic acid |
| 3 | 2,2'-Disulfobenzidine |
| 4 | 6,6'-Bimetanilic acid |
| 5 | 4,4'-Diaminobiphenyl-2,2'-disulfonic acid |
| Molecular Formula | C12H12N2O6S2 |
|---|---|
| Canonical SMILES | C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)N)S(=O)(=O)O |
| Isomeric SMILES | C1=CC(=C(C=C1N)S(=O)(=O)O)C2=C(C=C(C=C2)N)S(=O)(=O)O |
| Molecular Weight | 344.4000 |
| InChIKey | MBJAPGAZEWPEFB-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20) |
| XLogP | -0.3000 |
| ExactMass | 344.0137 |
| MonoisotopicMass | 344.0137 |
| TPSA | 178.0000 |
| Complexity | 540.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 4 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 22 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1553 |
| PatentFamilyCount | 694 |
| LiteratureCount | 40 |
