TL;DR: 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride (CAS 151096-42-3) is a chemical compound with molecular formula C7BrClF4O and molecular weight 289.87573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-3,4,5,6-tetrafluorobenzoyl chloride
Also Known As: 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride, C7BrClF4O, 2-Bromo-3,4,5,6-tetrafluorobenzoylchloride, 2-Bromo-3,4,5,6-tetrafluoro-benzoyl chloride, B167
| Molecular Formula | C7BrClF4O |
| Molecular Weight | 289.87573 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.87573 Da |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
| SMILES | C1(=C(C(=C(C(=C1Br)F)F)F)F)C(=O)Cl |
| InChIKey | FLVURBOAHUGHCH-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride 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 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride is 151096-42-3.
The molecular formula of 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride is C7BrClF4O.
The molecular weight of 2-Bromo-3,4,5,6-tetrafluorobenzoyl chloride is 289.87573 g/mol.
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