4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid
TL;DR: 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid (CAS 405-43-6) is a chemical compound with molecular formula C9H6ClF3O3 and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloro-1,1,2-trifluoroethoxy)benzoic acid
Also Known As: 4-(2-chloro-1,1,2-trifluoroethoxy)benzoic acid, 4-(2-CHLORO-1,1,2-TRIFLUOROETHOXY)-BENZOIC ACID, 4-(1,1,2-trifluoro-2-chloroethoxy)benzoic acid, Benzoicacid, 4-(2-chloro-1,1,2-trifluoroethoxy)-, Benzoic acid, 4-(2-chloro-1,1,2-trifluoroethoxy)-
| Molecular Formula | C9H6ClF3O3 |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.99576 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 405-43-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)OC(C(F)Cl)(F)F |
| InChIKey | UBPJCHITDRIJEB-UHFFFAOYSA-N |
Product Overview
4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid (CAS 405-43-6), with molecular formula C9H6ClF3O3 and molecular weight 254.00 g/mol. IUPAC: 4-(2-chloro-1,1,2-trifluoroethoxy)benzoic acid.
Chemical Property Profile of 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid
Property Insights of 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid
The XLogP value of 3.3 indicates that 4-(2-Chloro-1,1,2-trifluoroethoxy)-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, 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloro-1,1,2-trifluoroethoxy)-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 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid?
The CAS number of 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid is 405-43-6.
What is the molecular formula of 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid?
The molecular formula of 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid is C9H6ClF3O3.
What is the molecular weight of 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid?
The molecular weight of 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid is 254.00 g/mol.
Where can I buy 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid?
You can request a quote for 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloro-1,1,2-trifluoroethoxy)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.