4-Azidotetrafluorobenzoic acid
TL;DR: 4-Azidotetrafluorobenzoic acid (CAS 122590-77-6) is a chemical compound with molecular formula C7HF4N3O2 and molecular weight 235.00049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-azido-2,3,5,6-tetrafluorobenzoic acid
Also Known As: 4-azido-2,3,5,6-tetrafluorobenzoic acid, ATFB, 4-azidotetrafluorobenzoic acid, 4-azido-2,3,5,6-tetrafluoro-benzoic Acid, p-azidotetrafluorobenzoic acid
Technical Specifications
| Molecular Formula | C7HF4N3O2 |
| Molecular Weight | 235.00049 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 51.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.00049 Da |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
| SMILES | C1(=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F)C(=O)O |
| InChIKey | IOJFHZXQSLNAQJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Azidotetrafluorobenzoic acid
Property Insights of 4-Azidotetrafluorobenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Azidotetrafluorobenzoic acid. With a topological polar surface area (TPSA) of 51.7 Ų, 4-Azidotetrafluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Azidotetrafluorobenzoic acid has 1 hydrogen bond donor(s) and 8 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-Azidotetrafluorobenzoic acid?
The CAS number of 4-Azidotetrafluorobenzoic acid is 122590-77-6.
What is the molecular formula of 4-Azidotetrafluorobenzoic acid?
The molecular formula of 4-Azidotetrafluorobenzoic acid is C7HF4N3O2.
What is the molecular weight of 4-Azidotetrafluorobenzoic acid?
The molecular weight of 4-Azidotetrafluorobenzoic acid is 235.00049 g/mol.
Where can I buy 4-Azidotetrafluorobenzoic acid?
You can request a quote for 4-Azidotetrafluorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Azidotetrafluorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Azidotetrafluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.