3-Chloro-4-fluorophenol
TL;DR: 3-Chloro-4-fluorophenol (CAS 2613-23-2) is a chemical compound with molecular formula C6H4ClFO and molecular weight 145.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-fluorophenol
Also Known As: 3-Chloro-4-fluorophenol, Phenol, 3-chloro-4-fluoro-, null, Clofurac, 3-chloro-4-fluoro-phenol
| Molecular Formula | C6H4ClFO |
|---|---|
| Molecular Weight | 145.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.99347 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 2613-23-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)Cl)F |
| InChIKey | ZQXLIXHVJVAPLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-fluorophenol (CAS 2613-23-2), with molecular formula C6H4ClFO and molecular weight 145.99 g/mol. IUPAC: 3-chloro-4-fluorophenol.
Chemical Property Profile of 3-Chloro-4-fluorophenol
Property Insights of 3-Chloro-4-fluorophenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluorophenol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Chloro-4-fluorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-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
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-fluorophenol?
The CAS number of 3-Chloro-4-fluorophenol is 2613-23-2.
What is the molecular formula of 3-Chloro-4-fluorophenol?
The molecular formula of 3-Chloro-4-fluorophenol is C6H4ClFO.
What is the molecular weight of 3-Chloro-4-fluorophenol?
The molecular weight of 3-Chloro-4-fluorophenol is 145.99 g/mol.
Where can I buy 3-Chloro-4-fluorophenol?
You can request a quote for 3-Chloro-4-fluorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluorophenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.