TL;DR: 2,3-Dinitrofluoranthene (CAS 105735-66-8) is a chemical compound with molecular formula C16H8N2O4 and molecular weight 292.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dinitrofluoranthene
Also Known As: 2,3-Dinitrofluoranthene, Fluoranthene, 2,3-dinitro-, Fluoranthene, 2,3-dinitro, Fluoranthene,2,3-dinitro
| Molecular Formula | C16H8N2O4 |
| Molecular Weight | 292.0484 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.0484 Da |
| Heavy Atoms | 22 |
| Complexity | 486.0 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC(=C4[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZRHCFMUGIWBGJI-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2,3-Dinitrofluoranthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dinitrofluoranthene. Following Lipinski's Rule of Five, 2,3-Dinitrofluoranthene 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 2,3-Dinitrofluoranthene is 105735-66-8.
The molecular formula of 2,3-Dinitrofluoranthene is C16H8N2O4.
The molecular weight of 2,3-Dinitrofluoranthene is 292.0484 g/mol.
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