3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid
CAS: 96-93-5
| 1 | 3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid |
| 2 | Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro- |
| 3 | 2-AMINO-6-NITRO-1-PHENOL-4-SULFONIC ACID |
| 4 | 3-Amino-4-hydroxy-5-nitrobenzenesulphonic acid |
| 5 | 4-Hydroxy-5-nitrometanilic acid |
No description available for this item
| Molecular Formula | C6H6N2O6S |
|---|---|
| Canonical SMILES | C1=C(C=C(C(=C1N)O)[N+](=O)[O-])S(=O)(=O)O |
| Isomeric SMILES | C1=C(C=C(C(=C1N)O)[N+](=O)[O-])S(=O)(=O)O |
| Molecular Weight | 234.1900 |
| InChIKey | RHPXYZMDLOJTFF-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14) |
| XLogP | -0.2000 |
| ExactMass | 233.9947 |
| MonoisotopicMass | 233.9947 |
| TPSA | 155.0000 |
| Complexity | 344.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 7 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 991 |
| PatentFamilyCount | 478 |
| LiteratureCount | 22 |