m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt
TL;DR: m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt (CAS 63980-13-2) is a chemical compound with molecular formula C8H4F3O2Tl and molecular weight 393.99078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
thallium(1+);3-(trifluoromethyl)benzoate
Also Known As: thallium(1+) 3-(trifluoromethyl)benzoate, Cid 116032, Benzoic acid, m-trifluoromethyl-, thallium salt, m-Trifluoromethylbenzoicacidthallium salt, m-Trifluoromethylbenzoic acid thallium(I) salt
Technical Specifications
| Molecular Formula | C8H4F3O2Tl |
| Molecular Weight | 393.99078 g/mol |
| XLogP | 0.69 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 393.99078 Da |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)[O-].[Tl+] |
| InChIKey | YUBSUDWFXBWIQR-UHFFFAOYSA-M |
Chemical Property Profile of m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt
Property Insights of m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt
The XLogP value of 0.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt. With a topological polar surface area (TPSA) of 40.1 Ų, m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt 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 m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt?
The CAS number of m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt is 63980-13-2.
What is the molecular formula of m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt?
The molecular formula of m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt is C8H4F3O2Tl.
What is the molecular weight of m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt?
The molecular weight of m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt is 393.99078 g/mol.
Where can I buy m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt?
You can request a quote for m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt?
Yes, CoreyChem provides custom synthesis services for m-Toluic acid, alpha,alpha,alpha-trifluoro-, thallium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.