TL;DR: 4-[(3-Nitrobenzyl)oxy]benzaldehyde (CAS 152793-23-2) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.06882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-nitrophenyl)methoxy]benzaldehyde
Also Known As: 4-[(3-Nitrobenzyl)oxy]benzaldehyde, 4-[(3-nitrophenyl)methoxy]benzaldehyde
| Molecular Formula | C14H11NO4 |
| Molecular Weight | 257.06882 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.06882 Da |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])COC2=CC=C(C=C2)C=O |
| InChIKey | MFEHPRZXZOFHAM-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 4-[(3-Nitrobenzyl)oxy]benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Nitrobenzyl)oxy]benzaldehyde. Following Lipinski's Rule of Five, 4-[(3-Nitrobenzyl)oxy]benzaldehyde has 0 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-[(3-Nitrobenzyl)oxy]benzaldehyde is 152793-23-2.
The molecular formula of 4-[(3-Nitrobenzyl)oxy]benzaldehyde is C14H11NO4.
The molecular weight of 4-[(3-Nitrobenzyl)oxy]benzaldehyde is 257.06882 g/mol.
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