2-Chloro-4-fluorophenyl methanesulfonate
TL;DR: 2-Chloro-4-fluorophenyl methanesulfonate (CAS 106123-84-6) is a chemical compound with molecular formula C7H6ClFO3S and molecular weight 223.97102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chloro-4-fluorophenyl) methanesulfonate
Also Known As: 2-chloro-4-fluorophenyl methanesulfonate, 2-chloro-4-fluorophenol,methanesulfonic acid, 2-chloro-4-fluoro-1-methylsulfonyloxy-benzene
Technical Specifications
| Molecular Formula | C7H6ClFO3S |
| Molecular Weight | 223.97102 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.97102 Da |
| Heavy Atoms | 13 |
| Complexity | 261.0 |
| SMILES | CS(=O)(=O)OC1=C(C=C(C=C1)F)Cl |
| InChIKey | NWPMKTJTUSDKMN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-4-fluorophenyl methanesulfonate
Property Insights of 2-Chloro-4-fluorophenyl methanesulfonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-fluorophenyl methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chloro-4-fluorophenyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-fluorophenyl methanesulfonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-4-fluorophenyl methanesulfonate?
The CAS number of 2-Chloro-4-fluorophenyl methanesulfonate is 106123-84-6.
What is the molecular formula of 2-Chloro-4-fluorophenyl methanesulfonate?
The molecular formula of 2-Chloro-4-fluorophenyl methanesulfonate is C7H6ClFO3S.
What is the molecular weight of 2-Chloro-4-fluorophenyl methanesulfonate?
The molecular weight of 2-Chloro-4-fluorophenyl methanesulfonate is 223.97102 g/mol.
Where can I buy 2-Chloro-4-fluorophenyl methanesulfonate?
You can request a quote for 2-Chloro-4-fluorophenyl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-fluorophenyl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-fluorophenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.