TL;DR: 4-(2-Chloroacetamido)phenylarsonic acid (CAS 5425-62-7) is a chemical compound with molecular formula C8H9AsClNO4 and molecular weight 292.9436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(2-chloroacetyl)amino]phenyl]arsonic acid
Also Known As: N-CHLOROACETYLARSANILIC ACID, 4-(2-Chloroacetamido)phenylarsonic acid, (4-((Chloroacetyl)amino)phenyl)arsonic acid, [4-(2-Chloroacetamido)phenyl]arsonic acid, Acide monochloroacetamido-4 benzene arsonique
| Molecular Formula | C8H9AsClNO4 |
| Molecular Weight | 292.9436 g/mol |
| XLogP | -0.58 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.9436 Da |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
| SMILES | C1=CC(=CC=C1NC(=O)CCl)[As](=O)(O)O |
| InChIKey | BWPMHDNLIGQVLN-UHFFFAOYSA-N |
The XLogP value of -0.58 indicates that 4-(2-Chloroacetamido)phenylarsonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chloroacetamido)phenylarsonic acid. Following Lipinski's Rule of Five, 4-(2-Chloroacetamido)phenylarsonic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(2-Chloroacetamido)phenylarsonic acid is 5425-62-7.
The molecular formula of 4-(2-Chloroacetamido)phenylarsonic acid is C8H9AsClNO4.
The molecular weight of 4-(2-Chloroacetamido)phenylarsonic acid is 292.9436 g/mol.
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