3-Chloro-2,4,5-trifluorobenzoic Acid
TL;DR: 3-Chloro-2,4,5-trifluorobenzoic Acid (CAS 104222-42-6) is a chemical compound with molecular formula C7H2ClF3O2 and molecular weight 209.96954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2,4,5-trifluorobenzoic acid
Also Known As: 3-Chloro-2,4,5-trifluorobenzoic acid, 2,4,5-Trifluoro-3-chlorobenzoic acid, DIMETILAN, Benzoic acid, 3-chloro-2,4,5-trifluoro-, Sitafloxacin Impurity 15
Technical Specifications
| Molecular Formula | C7H2ClF3O2 |
| Molecular Weight | 209.96954 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.96954 Da |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
| SMILES | C1=C(C(=C(C(=C1F)F)Cl)F)C(=O)O |
| InChIKey | KBESHLYCSZINAJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2,4,5-trifluorobenzoic Acid
Property Insights of 3-Chloro-2,4,5-trifluorobenzoic Acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2,4,5-trifluorobenzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-2,4,5-trifluorobenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2,4,5-trifluorobenzoic Acid has 1 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-trifluorobenzoic Acid?
The CAS number of 3-Chloro-2,4,5-trifluorobenzoic Acid is 104222-42-6.
What is the molecular formula of 3-Chloro-2,4,5-trifluorobenzoic Acid?
The molecular formula of 3-Chloro-2,4,5-trifluorobenzoic Acid is C7H2ClF3O2.
What is the molecular weight of 3-Chloro-2,4,5-trifluorobenzoic Acid?
The molecular weight of 3-Chloro-2,4,5-trifluorobenzoic Acid is 209.96954 g/mol.
Where can I buy 3-Chloro-2,4,5-trifluorobenzoic Acid?
You can request a quote for 3-Chloro-2,4,5-trifluorobenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2,4,5-trifluorobenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2,4,5-trifluorobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.