2-Chloro-6-fluorophenylacetic acid
TL;DR: 2-Chloro-6-fluorophenylacetic acid (CAS 398-97-0) is a chemical compound with molecular formula C8H6ClFO2 and molecular weight 188.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-6-fluorophenyl)acetic acid
Also Known As: 2-Chloro-6-fluorophenylacetic acid, 2-(2-chloro-6-fluorophenyl)acetic acid, qv1r bg ff, (2-chloro-6-fluorophenyl)acetic acid, 2-NONENYLACETATE
| Molecular Formula | C8H6ClFO2 |
|---|---|
| Molecular Weight | 188.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.00403 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 398-97-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CC(=O)O)F |
| InChIKey | GUAIAAXDEJZRBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-6-fluorophenylacetic acid (CAS 398-97-0), with molecular formula C8H6ClFO2 and molecular weight 188.00 g/mol. IUPAC: 2-(2-chloro-6-fluorophenyl)acetic acid.
Chemical Property Profile of 2-Chloro-6-fluorophenylacetic acid
Property Insights of 2-Chloro-6-fluorophenylacetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluorophenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chloro-6-fluorophenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluorophenylacetic 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-6-fluorophenylacetic acid?
The CAS number of 2-Chloro-6-fluorophenylacetic acid is 398-97-0.
What is the molecular formula of 2-Chloro-6-fluorophenylacetic acid?
The molecular formula of 2-Chloro-6-fluorophenylacetic acid is C8H6ClFO2.
What is the molecular weight of 2-Chloro-6-fluorophenylacetic acid?
The molecular weight of 2-Chloro-6-fluorophenylacetic acid is 188.00 g/mol.
Where can I buy 2-Chloro-6-fluorophenylacetic acid?
You can request a quote for 2-Chloro-6-fluorophenylacetic 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-6-fluorophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluorophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.