3-Chloro-5-(trifluoromethyl)phenylacetic acid
TL;DR: 3-Chloro-5-(trifluoromethyl)phenylacetic acid (CAS 886496-99-7) 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-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid
Also Known As: 2-(3-Chloro-5-(trifluoromethyl)phenyl)acetic acid, 3-CHLORO-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID, 5-INDANOL, 2-[3-chloro-5-(trifluoromethyl)phenyl]acetic Acid, 3-chloro-5-trifluorophenylacetic 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 | 886496-99-7 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)Cl)CC(=O)O |
Product Overview
3-Chloro-5-(trifluoromethyl)phenylacetic acid (CAS 886496-99-7), with molecular formula C9H6ClF3O2 and molecular weight 238.00 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of 3-Chloro-5-(trifluoromethyl)phenylacetic acid
Property Insights of 3-Chloro-5-(trifluoromethyl)phenylacetic acid
The XLogP value of 2.9859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-(trifluoromethyl)phenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-5-(trifluoromethyl)phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(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 3-Chloro-5-(trifluoromethyl)phenylacetic acid?
The CAS number of 3-Chloro-5-(trifluoromethyl)phenylacetic acid is 886496-99-7.
What is the molecular formula of 3-Chloro-5-(trifluoromethyl)phenylacetic acid?
The molecular formula of 3-Chloro-5-(trifluoromethyl)phenylacetic acid is C9H6ClF3O2.
What is the molecular weight of 3-Chloro-5-(trifluoromethyl)phenylacetic acid?
The molecular weight of 3-Chloro-5-(trifluoromethyl)phenylacetic acid is 238.00 g/mol.
Where can I buy 3-Chloro-5-(trifluoromethyl)phenylacetic acid?
You can request a quote for 3-Chloro-5-(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 3-Chloro-5-(trifluoromethyl)phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(trifluoromethyl)phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.