TL;DR: Ethanone, 1-[2-[(nitrobenzoyl)oxy]phenyl]- (CAS 141230-15-1) is a chemical compound with molecular formula C15H11NO5 and molecular weight 285.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-acetylphenyl) 2-nitrobenzoate
Also Known As: (2-acetylphenyl) 2-nitrobenzoate, 2-ACETYLPHENYL 2-NITROBENZOATE, 2'-(2-Nitrobenzoyloxy)acetophenone, Ethanone, 1-[2-[(nitrobenzoyl)oxy]phenyl]-
| Molecular Formula | C15H11NO5 |
| Molecular Weight | 285.06372 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.06372 Da |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
| SMILES | CC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | GDIYLFJXKRHPBN-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-[2-[(nitrobenzoyl)oxy]phenyl]-. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-[2-[(nitrobenzoyl)oxy]phenyl]-. Following Lipinski's Rule of Five, Ethanone, 1-[2-[(nitrobenzoyl)oxy]phenyl]- has 0 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 Ethanone, 1-[2-[(nitrobenzoyl)oxy]phenyl]- is 141230-15-1.
The molecular formula of Ethanone, 1-[2-[(nitrobenzoyl)oxy]phenyl]- is C15H11NO5.
The molecular weight of Ethanone, 1-[2-[(nitrobenzoyl)oxy]phenyl]- is 285.06372 g/mol.
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