4-Bromo-3-fluorophenol
TL;DR: 4-Bromo-3-fluorophenol (CAS 10581-38-1) is a chemical compound with molecular formula C6H4BrFO and molecular weight 189.94296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-3-fluorophenol
Also Known As: 4-Bromo-3-fluorophenol, 3-Fluoro-4-bromophenol, 4-bromo-3-fluoro-phenol, Phenol, 4-bromo-3-fluoro-, 4-bromo-3-flourophenol
Technical Specifications
| Molecular Formula | C6H4BrFO |
| Molecular Weight | 189.94296 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.94296 Da |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
| SMILES | C1=CC(=C(C=C1O)F)Br |
| InChIKey | MRQYTJXVULSNIS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-3-fluorophenol
Property Insights of 4-Bromo-3-fluorophenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-fluorophenol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Bromo-3-fluorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-fluorophenol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-3-fluorophenol?
The CAS number of 4-Bromo-3-fluorophenol is 10581-38-1.
What is the molecular formula of 4-Bromo-3-fluorophenol?
The molecular formula of 4-Bromo-3-fluorophenol is C6H4BrFO.
What is the molecular weight of 4-Bromo-3-fluorophenol?
The molecular weight of 4-Bromo-3-fluorophenol is 189.94296 g/mol.
Where can I buy 4-Bromo-3-fluorophenol?
You can request a quote for 4-Bromo-3-fluorophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-3-fluorophenol?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-3-fluorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.