4-Chloro-2-fluorobenzoic acid
TL;DR: 4-Chloro-2-fluorobenzoic acid (CAS 446-30-0) 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.
4-chloro-2-fluorobenzoic acid
Also Known As: 4-Chloro-2-fluorobenzoic acid, 2-fluoro-4-chlorobenzoic acid, null, Benzoic acid, 4-chloro-2-fluoro-, 4-chloro-2-fluoro-benzoic acid
| Molecular Formula | C7H4ClFO2 |
|---|---|
| Molecular Weight | 173.99 g/mol |
| LogP | 2.3 |
| 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 | 446-30-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)F)C(=O)O |
| InChIKey | ZLPXBWMVZANJJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-fluorobenzoic acid (CAS 446-30-0), with molecular formula C7H4ClFO2 and molecular weight 173.99 g/mol. IUPAC: 4-chloro-2-fluorobenzoic acid.
Chemical Property Profile of 4-Chloro-2-fluorobenzoic acid
Property Insights of 4-Chloro-2-fluorobenzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-fluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Chloro-2-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-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 4-Chloro-2-fluorobenzoic acid?
The CAS number of 4-Chloro-2-fluorobenzoic acid is 446-30-0.
What is the molecular formula of 4-Chloro-2-fluorobenzoic acid?
The molecular formula of 4-Chloro-2-fluorobenzoic acid is C7H4ClFO2.
What is the molecular weight of 4-Chloro-2-fluorobenzoic acid?
The molecular weight of 4-Chloro-2-fluorobenzoic acid is 173.99 g/mol.
Where can I buy 4-Chloro-2-fluorobenzoic acid?
You can request a quote for 4-Chloro-2-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.