TL;DR: (4-Amino-3-nitrophenyl)arsonic acid (CAS 102612-65-7) is a chemical compound with molecular formula C6H7AsN2O5 and molecular weight 261.9571 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-amino-3-nitrophenyl)arsonic acid
Also Known As: 3-Nitroarsanilic acid, (4-amino-3-nitrophenyl)arsonic acid, KST-1A0370, (4-amino-3-nitro-phenyl)arsonic acid
| Molecular Formula | C6H7AsN2O5 |
| Molecular Weight | 261.9571 g/mol |
| XLogP | -1.262 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.9571 Da |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
| SMILES | C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])N |
| InChIKey | HGQKJRQCBRAOKC-UHFFFAOYSA-N |
The XLogP value of -1.262 indicates that (4-Amino-3-nitrophenyl)arsonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Amino-3-nitrophenyl)arsonic acid. Following Lipinski's Rule of Five, (4-Amino-3-nitrophenyl)arsonic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4-Amino-3-nitrophenyl)arsonic acid is 102612-65-7.
The molecular formula of (4-Amino-3-nitrophenyl)arsonic acid is C6H7AsN2O5.
The molecular weight of (4-Amino-3-nitrophenyl)arsonic acid is 261.9571 g/mol.
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