3-Chloro-4-fluorobenzoic acid
TL;DR: 3-Chloro-4-fluorobenzoic acid (CAS 403-16-7) 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.
3-chloro-4-fluorobenzoic acid
Also Known As: 3-Chloro-4-fluorobenzoic acid, null, 3-chloro-4-fluoro-benzoic acid, 4-Fluoro-3-chlorobenzoic acid, Benzoic acid, 3-chloro-4-fluoro-
| 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 | 403-16-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)F |
| InChIKey | PKTSBFXIHLYGEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-fluorobenzoic acid (CAS 403-16-7), with molecular formula C7H4ClFO2 and molecular weight 173.99 g/mol. IUPAC: 3-chloro-4-fluorobenzoic acid.
Chemical Property Profile of 3-Chloro-4-fluorobenzoic acid
Property Insights of 3-Chloro-4-fluorobenzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-fluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-4-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-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 3-Chloro-4-fluorobenzoic acid?
The CAS number of 3-Chloro-4-fluorobenzoic acid is 403-16-7.
What is the molecular formula of 3-Chloro-4-fluorobenzoic acid?
The molecular formula of 3-Chloro-4-fluorobenzoic acid is C7H4ClFO2.
What is the molecular weight of 3-Chloro-4-fluorobenzoic acid?
The molecular weight of 3-Chloro-4-fluorobenzoic acid is 173.99 g/mol.
Where can I buy 3-Chloro-4-fluorobenzoic acid?
You can request a quote for 3-Chloro-4-fluorobenzoic acid 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-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.