TL;DR: 2-Bromo-1-(3-bromo-5-nitrophenyl)ethanone (CAS 145028-73-5) is a chemical compound with molecular formula C8H5Br2NO3 and molecular weight 320.86362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-(3-bromo-5-nitrophenyl)ethanone
Also Known As: 2-Bromo-1-(3-bromo-5-nitrophenyl)ethanone, 2-bromo-1-(3-bromo-5-nitro-phenyl)ethanone
| Molecular Formula | C8H5Br2NO3 |
| Molecular Weight | 320.86362 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.86362 Da |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)CBr |
| InChIKey | UPKYMBHKOQJKQT-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(3-bromo-5-nitrophenyl)ethanone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1-(3-bromo-5-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-Bromo-1-(3-bromo-5-nitrophenyl)ethanone 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 2-Bromo-1-(3-bromo-5-nitrophenyl)ethanone is 145028-73-5.
The molecular formula of 2-Bromo-1-(3-bromo-5-nitrophenyl)ethanone is C8H5Br2NO3.
The molecular weight of 2-Bromo-1-(3-bromo-5-nitrophenyl)ethanone is 320.86362 g/mol.
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