![3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid structure](/static/products/6373/63734-62-3.webp)
3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid
TL;DR: 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid (CAS 63734-62-3) is a chemical compound with molecular formula C14H8ClF3O3 and molecular weight 316.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
Also Known As: 3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid, Nickelcyanide, 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid, 3-(2-chloro-4-trifluoromethylphenoxy)benzoic acid, Benzoic acid, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-
| Molecular Formula | C14H8ClF3O3 |
|---|---|
| Molecular Weight | 316.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0114 |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 63734-62-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)O |
| InChIKey | ONKRUAQFUNKYAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid (CAS 63734-62-3), with molecular formula C14H8ClF3O3 and molecular weight 316.01 g/mol. IUPAC: 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid.
Chemical Property Profile of 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid
Property Insights of 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid
The XLogP value of 4.5 indicates that 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid has 1 hydrogen bond donor(s) and 6 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-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid?
The CAS number of 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid is 63734-62-3.
What is the molecular formula of 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid?
The molecular formula of 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid is C14H8ClF3O3.
What is the molecular weight of 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid?
The molecular weight of 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid is 316.01 g/mol.
Where can I buy 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid?
You can request a quote for 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.