TL;DR: 2'-Methoxy-6-nitro-[1,1'-biphenyl]-2-carboxylic acid (CAS 107558-38-3) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methoxyphenyl)-3-nitrobenzoic acid
Also Known As: 2-Nitro-6-carboxy-2'-methoxy-biphenyl, 2-(2-methoxyphenyl)-3-nitrobenzoic acid, 2'-Methoxy-6-nitro-[1,1'-biphenyl]-2-carboxylic acid, 2'-methoxy-6-nitrobiphenyl-2-carboxylic acid, J1.964.015I
| Molecular Formula | C14H11NO5 |
| Molecular Weight | 273.06372 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.06372 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | COC1=CC=CC=C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)O |
| InChIKey | LKCQDTYINSSOQZ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Methoxy-6-nitro-[1,1'-biphenyl]-2-carboxylic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Methoxy-6-nitro-[1,1'-biphenyl]-2-carboxylic acid. Following Lipinski's Rule of Five, 2'-Methoxy-6-nitro-[1,1'-biphenyl]-2-carboxylic acid 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 2'-Methoxy-6-nitro-[1,1'-biphenyl]-2-carboxylic acid is 107558-38-3.
The molecular formula of 2'-Methoxy-6-nitro-[1,1'-biphenyl]-2-carboxylic acid is C14H11NO5.
The molecular weight of 2'-Methoxy-6-nitro-[1,1'-biphenyl]-2-carboxylic acid is 273.06372 g/mol.
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