TL;DR: 4-Iodo-2,5,7-trinitrofluoren-9-one;2-methylnaphthalene (CAS 1061-19-4) is a chemical compound with molecular formula C24H14IN3O7 and molecular weight 582.9877 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-iodo-2,5,7-trinitrofluoren-9-one;2-methylnaphthalene
Also Known As: 4-Iodo-2,5,7-trinitrofluoren-9-one;2-methylnaphthalene, 4-iodo-2,5,7-trinitrofluoren-9-one; 2-methylnaphthalene, 4-Iodo-2,5,7-trinitro-9H-fluoren-9-one--2-methylnaphthalene (1/1), 9H-Fluoren-9-one,5,7-trinitro-, compd. with 2-methylnaphthalene (1:1)
| Molecular Formula | C24H14IN3O7 |
| Molecular Weight | 582.9877 g/mol |
| XLogP | 6.37542 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 582.9877 Da |
| Heavy Atoms | 35 |
| Complexity | 726.0 |
| SMILES | CC1=CC2=CC=CC=C2C=C1.C1=C(C=C(C2=C1C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])I)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IMNDHNZRAKYPJS-UHFFFAOYSA-N |
The XLogP value of 6.37542 indicates that 4-Iodo-2,5,7-trinitrofluoren-9-one;2-methylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 4-Iodo-2,5,7-trinitrofluoren-9-one;2-methylnaphthalene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Iodo-2,5,7-trinitrofluoren-9-one;2-methylnaphthalene has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Iodo-2,5,7-trinitrofluoren-9-one;2-methylnaphthalene is 1061-19-4.
The molecular formula of 4-Iodo-2,5,7-trinitrofluoren-9-one;2-methylnaphthalene is C24H14IN3O7.
The molecular weight of 4-Iodo-2,5,7-trinitrofluoren-9-one;2-methylnaphthalene is 582.9877 g/mol.
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