TL;DR: Quinoline, 7-chloro-4-nitro-, 1-oxide (CAS 14753-14-1) is a chemical compound with molecular formula C9H5ClN2O3 and molecular weight 223.99887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-4-nitro-1-oxidoquinolin-1-ium
Also Known As: 7-Chloro-4-nitroquinoline 1-oxide, Quinoline, 7-chloro-4-nitro-, 1-oxide, 7-chloro-4-nitro-1-oxidoquinolin-1-ium, Quinoline,7-chloro-4-nitro-, 1-oxide, 4-20-00-03400 (Beilstein Handbook Reference)
| Molecular Formula | C9H5ClN2O3 |
| Molecular Weight | 223.99887 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.99887 Da |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
| SMILES | C1=CC2=C(C=C[N+](=C2C=C1Cl)[O-])[N+](=O)[O-] |
| InChIKey | NFGJNEYAHLMONP-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinoline, 7-chloro-4-nitro-, 1-oxide. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinoline, 7-chloro-4-nitro-, 1-oxide. Following Lipinski's Rule of Five, Quinoline, 7-chloro-4-nitro-, 1-oxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Quinoline, 7-chloro-4-nitro-, 1-oxide is 14753-14-1.
The molecular formula of Quinoline, 7-chloro-4-nitro-, 1-oxide is C9H5ClN2O3.
The molecular weight of Quinoline, 7-chloro-4-nitro-, 1-oxide is 223.99887 g/mol.
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