Orange B free acid
4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
| Molecular Formula | C22H18N4O9S2 |
|---|---|
| Molecular Weight | 546.5 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 209.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.0515 |
| Heavy Atoms | 37 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 732922-62-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O |
| InChIKey | CZKAWHARUCUKNT-UHFFFAOYSA-N |
📖 Product Overview
Orange B free acid (CAS: 732922-62-2) is a chemical compound with molecular formula C22H18N4O9S2 and molecular weight 546.5 g/mol. Its IUPAC systematic name is 4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid.
CZKAWHARUCUKNT-UHFFFAOYSA-N.
SMILES: CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O.
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