4-Chloro-2,5-difluorobenzoic acid
TL;DR: 4-Chloro-2,5-difluorobenzoic acid (CAS 147700-58-1) is a chemical compound with molecular formula C7H3ClF2O2 and molecular weight 191.97896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2,5-difluorobenzoic acid
Also Known As: 4-Chloro-2,5-difluorobenzoic acid, 2,5-DIFLUORO-4-CHLOROBENZOIC ACID, Benzoic acid, 4-chloro-2,5-difluoro-, 4-chloro-2,5-difluoro-benzoic Acid, 4-Chloro-2,5-difluorobenzoic acid;
Technical Specifications
| Molecular Formula | C7H3ClF2O2 |
| Molecular Weight | 191.97896 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.97896 Da |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
| SMILES | C1=C(C(=CC(=C1F)Cl)F)C(=O)O |
| InChIKey | PEPCYJSDHYMIFN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2,5-difluorobenzoic acid
Property Insights of 4-Chloro-2,5-difluorobenzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,5-difluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Chloro-2,5-difluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,5-difluorobenzoic acid has 1 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-difluorobenzoic acid?
The CAS number of 4-Chloro-2,5-difluorobenzoic acid is 147700-58-1.
What is the molecular formula of 4-Chloro-2,5-difluorobenzoic acid?
The molecular formula of 4-Chloro-2,5-difluorobenzoic acid is C7H3ClF2O2.
What is the molecular weight of 4-Chloro-2,5-difluorobenzoic acid?
The molecular weight of 4-Chloro-2,5-difluorobenzoic acid is 191.97896 g/mol.
Where can I buy 4-Chloro-2,5-difluorobenzoic acid?
You can request a quote for 4-Chloro-2,5-difluorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2,5-difluorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2,5-difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.