TL;DR: 5-Bromo-3-nitrosalicylic acid (CAS 10169-50-3) is a chemical compound with molecular formula C7H4BrNO5 and molecular weight 260.92728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2-hydroxy-3-nitrobenzoic acid
Also Known As: 5-Bromo-2-hydroxy-3-nitrobenzoic acid, Salicyl Yellow A, 5-Bromo-3-nitrosalicylic acid, Benzoic acid, 5-bromo-2-hydroxy-3-nitro-, Salicylic acid, 5-bromo-3-nitro-
| Molecular Formula | C7H4BrNO5 |
| Molecular Weight | 260.92728 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.92728 Da |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
| SMILES | C1=C(C=C(C(=C1C(=O)O)O)[N+](=O)[O-])Br |
| InChIKey | JNYJGSJKQMVWRL-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-3-nitrosalicylic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-3-nitrosalicylic acid. Following Lipinski's Rule of Five, 5-Bromo-3-nitrosalicylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Bromo-3-nitrosalicylic acid is 10169-50-3.
The molecular formula of 5-Bromo-3-nitrosalicylic acid is C7H4BrNO5.
The molecular weight of 5-Bromo-3-nitrosalicylic acid is 260.92728 g/mol.
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