TL;DR: N-[(4-chlorophenyl)diazenyl]-3-nitroaniline (CAS 109041-92-1) is a chemical compound with molecular formula C12H9ClN4O2 and molecular weight 276.0414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-chlorophenyl)diazenyl]-3-nitroaniline
Also Known As: N-[(4-chlorophenyl)diazenyl]-3-nitroaniline, 1-(4-Chlorophenyl)-3-(3-nitrophenyl)triaz-1-ene, 1-(4-chlorophenyl)-3-{3-nitrophenyl}-1-triazene, [(4-chlorophenyl)diazenyl](3-nitrophenyl)amine, 1-(4-chlorophenyl)-3-(3-nitrophenyl)triazene
| Molecular Formula | C12H9ClN4O2 |
| Molecular Weight | 276.0414 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.0414 Da |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NN=NC2=CC=C(C=C2)Cl |
| InChIKey | FCOPLZDHYPVTJU-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that N-[(4-chlorophenyl)diazenyl]-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chlorophenyl)diazenyl]-3-nitroaniline. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)diazenyl]-3-nitroaniline has 1 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 N-[(4-chlorophenyl)diazenyl]-3-nitroaniline is 109041-92-1.
The molecular formula of N-[(4-chlorophenyl)diazenyl]-3-nitroaniline is C12H9ClN4O2.
The molecular weight of N-[(4-chlorophenyl)diazenyl]-3-nitroaniline is 276.0414 g/mol.
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