3-Chloro-4-(trifluoromethoxy)benzoic acid
TL;DR: 3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS 56456-48-5) is a chemical compound with molecular formula C8H4ClF3O3 and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(trifluoromethoxy)benzoic acid
Also Known As: 3-Chloro-4-(trifluoromethoxy)benzoic acid, 3-Chloro-4-(trifluoromethoxy)benzoicacid, Benzoic acid, 3-chloro-4-(trifluoromethoxy)-, 3-chloro-4-trifluorobenzoic acid, 3-chloro-4-[(trifluoromethyl)oxy]benzoic acid
| Molecular Formula | C8H4ClF3O3 |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | 2.9368 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.9801 |
| Heavy Atoms | 15 |
| Complexity | 389.20856 |
Chemical Identifiers
| CAS Number | 56456-48-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)OC(F)(F)F |
Product Overview
3-Chloro-4-(trifluoromethoxy)benzoic acid (CAS 56456-48-5), with molecular formula C8H4ClF3O3 and molecular weight 239.98 g/mol. IUPAC: 3-chloro-4-(trifluoromethoxy)benzoic acid.
Chemical Property Profile of 3-Chloro-4-(trifluoromethoxy)benzoic acid
Property Insights of 3-Chloro-4-(trifluoromethoxy)benzoic acid
The XLogP value of 2.9368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(trifluoromethoxy)benzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Chloro-4-(trifluoromethoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(trifluoromethoxy)benzoic acid has 1 hydrogen bond donor(s) and 2 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-4-(trifluoromethoxy)benzoic acid?
The CAS number of 3-Chloro-4-(trifluoromethoxy)benzoic acid is 56456-48-5.
What is the molecular formula of 3-Chloro-4-(trifluoromethoxy)benzoic acid?
The molecular formula of 3-Chloro-4-(trifluoromethoxy)benzoic acid is C8H4ClF3O3.
What is the molecular weight of 3-Chloro-4-(trifluoromethoxy)benzoic acid?
The molecular weight of 3-Chloro-4-(trifluoromethoxy)benzoic acid is 239.98 g/mol.
Where can I buy 3-Chloro-4-(trifluoromethoxy)benzoic acid?
You can request a quote for 3-Chloro-4-(trifluoromethoxy)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-Chloro-4-(trifluoromethoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(trifluoromethoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.