3-Chloro-2,4,5-trifluorobenzoate
TL;DR: 3-Chloro-2,4,5-trifluorobenzoate (CAS 101513-77-3) is a chemical compound with molecular formula C7HClF3O2- and molecular weight 208.96172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2,4,5-trifluorobenzoate
Also Known As: 3-Chloro-2,4,5-trifluorobenzoic acid, 3-Chloro-2,4,5-Trilfuorobenzoic acid
Technical Specifications
| Molecular Formula | C7HClF3O2- |
| Molecular Weight | 208.96172 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.96172 Da |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
| SMILES | C1=C(C(=C(C(=C1F)F)Cl)F)C(=O)[O-] |
| InChIKey | KBESHLYCSZINAJ-UHFFFAOYSA-M |
Chemical Property Profile of 3-Chloro-2,4,5-trifluorobenzoate
Property Insights of 3-Chloro-2,4,5-trifluorobenzoate
The XLogP value of 3.0 indicates that 3-Chloro-2,4,5-trifluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 3-Chloro-2,4,5-trifluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2,4,5-trifluorobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Chloro-2,4,5-trifluorobenzoate?
The CAS number of 3-Chloro-2,4,5-trifluorobenzoate is 101513-77-3.
What is the molecular formula of 3-Chloro-2,4,5-trifluorobenzoate?
The molecular formula of 3-Chloro-2,4,5-trifluorobenzoate is C7HClF3O2-.
What is the molecular weight of 3-Chloro-2,4,5-trifluorobenzoate?
The molecular weight of 3-Chloro-2,4,5-trifluorobenzoate is 208.96172 g/mol.
Where can I buy 3-Chloro-2,4,5-trifluorobenzoate?
You can request a quote for 3-Chloro-2,4,5-trifluorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2,4,5-trifluorobenzoate?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2,4,5-trifluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.