4-Chloro-3-(trifluoromethyl)phenylacetic acid
TL;DR: 4-Chloro-3-(trifluoromethyl)phenylacetic acid (CAS 22902-86-9) is a chemical compound with molecular formula C9H6ClF3O2 and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-3-(trifluoromethyl)phenyl]acetic acid
Also Known As: 4-Chloro-3-(trifluoromethyl)phenylacetic acid, 2-[4-chloro-3-(trifluoromethyl)phenyl]acetic Acid, 2-(4-chloro-3-(trifluoromethyl)phenyl)acetic acid, Benzeneacetic acid, 4-chloro-3-(trifluoromethyl)-, [4-chloro-3-(trifluoromethyl)phenyl]acetic acid
| Molecular Formula | C9H6ClF3O2 |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 2.9859 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.00084 |
| Heavy Atoms | 15 |
| Complexity | 387.4341 |
Chemical Identifiers
| CAS Number | 22902-86-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(=O)O)C(F)(F)F)Cl |
Product Overview
4-Chloro-3-(trifluoromethyl)phenylacetic acid (CAS 22902-86-9), with molecular formula C9H6ClF3O2 and molecular weight 238.00 g/mol. IUPAC: 2-[4-chloro-3-(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of 4-Chloro-3-(trifluoromethyl)phenylacetic acid
Property Insights of 4-Chloro-3-(trifluoromethyl)phenylacetic acid
The XLogP value of 2.9859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(trifluoromethyl)phenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Chloro-3-(trifluoromethyl)phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-(trifluoromethyl)phenylacetic acid has 1 hydrogen bond donor(s) and 1 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-3-(trifluoromethyl)phenylacetic acid?
The CAS number of 4-Chloro-3-(trifluoromethyl)phenylacetic acid is 22902-86-9.
What is the molecular formula of 4-Chloro-3-(trifluoromethyl)phenylacetic acid?
The molecular formula of 4-Chloro-3-(trifluoromethyl)phenylacetic acid is C9H6ClF3O2.
What is the molecular weight of 4-Chloro-3-(trifluoromethyl)phenylacetic acid?
The molecular weight of 4-Chloro-3-(trifluoromethyl)phenylacetic acid is 238.00 g/mol.
Where can I buy 4-Chloro-3-(trifluoromethyl)phenylacetic acid?
You can request a quote for 4-Chloro-3-(trifluoromethyl)phenylacetic 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-3-(trifluoromethyl)phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(trifluoromethyl)phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.