4-Chloro-2,5-difluorobenzoate
TL;DR: 4-Chloro-2,5-difluorobenzoate (CAS 132794-07-1) is a chemical compound with molecular formula C7H2ClF2O2- and molecular weight 190.97115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2,5-difluorobenzoate
Also Known As: 4-chloro-2,5-difluorobenzoate, 2,5-difluoro-4-chlorobenzoicacid, 4-Chloro-2,5-difluorobenzoic acid, 2,5-DIFLUORO-4-CHLOROBENZOIC ACID
Technical Specifications
| Molecular Formula | C7H2ClF2O2- |
| Molecular Weight | 190.97115 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.97115 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| SMILES | C1=C(C(=CC(=C1F)Cl)F)C(=O)[O-] |
| InChIKey | PEPCYJSDHYMIFN-UHFFFAOYSA-M |
Chemical Property Profile of 4-Chloro-2,5-difluorobenzoate
Property Insights of 4-Chloro-2,5-difluorobenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,5-difluorobenzoate. With a topological polar surface area (TPSA) of 40.1 Ų, 4-Chloro-2,5-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,5-difluorobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-2,5-difluorobenzoate?
The CAS number of 4-Chloro-2,5-difluorobenzoate is 132794-07-1.
What is the molecular formula of 4-Chloro-2,5-difluorobenzoate?
The molecular formula of 4-Chloro-2,5-difluorobenzoate is C7H2ClF2O2-.
What is the molecular weight of 4-Chloro-2,5-difluorobenzoate?
The molecular weight of 4-Chloro-2,5-difluorobenzoate is 190.97115 g/mol.
Where can I buy 4-Chloro-2,5-difluorobenzoate?
You can request a quote for 4-Chloro-2,5-difluorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2,5-difluorobenzoate?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2,5-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.