2-Chloro-3-(trifluoromethyl)benzoic acid
TL;DR: 2-Chloro-3-(trifluoromethyl)benzoic acid (CAS 39226-97-6) is a chemical compound with molecular formula C8H4ClF3O2 and molecular weight 223.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(trifluoromethyl)benzoic acid
Also Known As: 2-Chloro-3-(trifluoromethyl)benzoic acid, 2-chloro-3-trifluoromethylbenzoic acid, Chloroacetyl-dl-isoleucine, RARECHEM AL BE 0475, RARECHEM AL BE 0520
| Molecular Formula | C8H4ClF3O2 |
|---|---|
| Molecular Weight | 223.99 g/mol |
| LogP | 3.057 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.9852 |
| Heavy Atoms | 14 |
| Complexity | 373.33942 |
Chemical Identifiers
| CAS Number | 39226-97-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(F)(F)F)Cl)C(=O)O |
Product Overview
2-Chloro-3-(trifluoromethyl)benzoic acid (CAS 39226-97-6), with molecular formula C8H4ClF3O2 and molecular weight 223.99 g/mol. IUPAC: 2-chloro-3-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 2-Chloro-3-(trifluoromethyl)benzoic acid
Property Insights of 2-Chloro-3-(trifluoromethyl)benzoic acid
The XLogP value of 3.057 indicates that 2-Chloro-3-(trifluoromethyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chloro-3-(trifluoromethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(trifluoromethyl)benzoic 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 2-Chloro-3-(trifluoromethyl)benzoic acid?
The CAS number of 2-Chloro-3-(trifluoromethyl)benzoic acid is 39226-97-6.
What is the molecular formula of 2-Chloro-3-(trifluoromethyl)benzoic acid?
The molecular formula of 2-Chloro-3-(trifluoromethyl)benzoic acid is C8H4ClF3O2.
What is the molecular weight of 2-Chloro-3-(trifluoromethyl)benzoic acid?
The molecular weight of 2-Chloro-3-(trifluoromethyl)benzoic acid is 223.99 g/mol.
Where can I buy 2-Chloro-3-(trifluoromethyl)benzoic acid?
You can request a quote for 2-Chloro-3-(trifluoromethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(trifluoromethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.