2-Chloro-3-fluorobenzoic acid
TL;DR: 2-Chloro-3-fluorobenzoic acid (CAS 656-57-5) is a chemical compound with molecular formula C7H4ClFO2 and molecular weight 173.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-fluorobenzoic acid
Also Known As: 2-Chloro-3-fluorobenzoic acid, null, 2-Chloro-3-fluorobenzoicacid, 2-chloro-3-fluoro-benzoic acid, 1-Bromo-2-fluorocyclohexane
| Molecular Formula | C7H4ClFO2 |
|---|---|
| Molecular Weight | 173.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.98839 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 656-57-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)Cl)C(=O)O |
| InChIKey | WJYAYXKXZNITAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3-fluorobenzoic acid (CAS 656-57-5), with molecular formula C7H4ClFO2 and molecular weight 173.99 g/mol. IUPAC: 2-chloro-3-fluorobenzoic acid.
Chemical Property Profile of 2-Chloro-3-fluorobenzoic acid
Property Insights of 2-Chloro-3-fluorobenzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-fluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chloro-3-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-fluorobenzoic 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
Frequently Asked Questions
What is the CAS number of 2-Chloro-3-fluorobenzoic acid?
The CAS number of 2-Chloro-3-fluorobenzoic acid is 656-57-5.
What is the molecular formula of 2-Chloro-3-fluorobenzoic acid?
The molecular formula of 2-Chloro-3-fluorobenzoic acid is C7H4ClFO2.
What is the molecular weight of 2-Chloro-3-fluorobenzoic acid?
The molecular weight of 2-Chloro-3-fluorobenzoic acid is 173.99 g/mol.
Where can I buy 2-Chloro-3-fluorobenzoic acid?
You can request a quote for 2-Chloro-3-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.