TL;DR: Ethanone, 2-bromo-1-(3,4-dichloro-5-nitro-2-furanyl)- (CAS 162050-09-1) is a chemical compound with molecular formula C6H2BrCl2NO4 and molecular weight 300.85443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-(3,4-dichloro-5-nitrofuran-2-yl)ethanone
Also Known As: 3,4-Dichloro-5-nitro-2-bromoacetylfuran, Ethanone, 2-bromo-1-(3,4-dichloro-5-nitro-2-furanyl)-, 2-Bromo-1-(3,4-dichloro-5-nitro-2-furanyl)ethanone, 2-bromo-1-(3,4-dichloro-5-nitrofuran-2-yl)ethanone, 2-bromo-1-(3,4-dichloro-5-nitrofuran-2-yl)ethan-1-one
| Molecular Formula | C6H2BrCl2NO4 |
| Molecular Weight | 300.85443 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.85443 Da |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
| SMILES | C(C(=O)C1=C(C(=C(O1)[N+](=O)[O-])Cl)Cl)Br |
| InChIKey | XWOOIPCGRMEINP-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Ethanone, 2-bromo-1-(3,4-dichloro-5-nitro-2-furanyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-bromo-1-(3,4-dichloro-5-nitro-2-furanyl)-. Following Lipinski's Rule of Five, Ethanone, 2-bromo-1-(3,4-dichloro-5-nitro-2-furanyl)- 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 Ethanone, 2-bromo-1-(3,4-dichloro-5-nitro-2-furanyl)- is 162050-09-1.
The molecular formula of Ethanone, 2-bromo-1-(3,4-dichloro-5-nitro-2-furanyl)- is C6H2BrCl2NO4.
The molecular weight of Ethanone, 2-bromo-1-(3,4-dichloro-5-nitro-2-furanyl)- is 300.85443 g/mol.
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