3-(3-Chloro-2-fluorophenyl)propanoic acid
TL;DR: 3-(3-Chloro-2-fluorophenyl)propanoic acid (CAS 886498-12-0) is a chemical compound with molecular formula C9H8ClFO2 and molecular weight 202.01968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-chloro-2-fluorophenyl)propanoic acid
Also Known As: 3-(3-chloro-2-fluorophenyl)propanoic acid, 3-(3-Chloro-2-fluorophenyl)propionic acid, 3-(3-chloro-2-fluoro-phenyl)propanoic Acid, 3-(3-chloro-2-fluorophenyl)propanoicacid, 3-(3'-Chloro-2'-fluorophenyl)propionic acid
Technical Specifications
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.01968 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.01968 Da |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)F)CCC(=O)O |
| InChIKey | VYQNICAOBPTLMG-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Chloro-2-fluorophenyl)propanoic acid
Property Insights of 3-(3-Chloro-2-fluorophenyl)propanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloro-2-fluorophenyl)propanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3-Chloro-2-fluorophenyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chloro-2-fluorophenyl)propanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3-Chloro-2-fluorophenyl)propanoic acid?
The CAS number of 3-(3-Chloro-2-fluorophenyl)propanoic acid is 886498-12-0.
What is the molecular formula of 3-(3-Chloro-2-fluorophenyl)propanoic acid?
The molecular formula of 3-(3-Chloro-2-fluorophenyl)propanoic acid is C9H8ClFO2.
What is the molecular weight of 3-(3-Chloro-2-fluorophenyl)propanoic acid?
The molecular weight of 3-(3-Chloro-2-fluorophenyl)propanoic acid is 202.01968 g/mol.
Where can I buy 3-(3-Chloro-2-fluorophenyl)propanoic acid?
You can request a quote for 3-(3-Chloro-2-fluorophenyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Chloro-2-fluorophenyl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-Chloro-2-fluorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.