Benzoic acid, 3-(trifluoromethyl)-, ion(1-)
TL;DR: Benzoic acid, 3-(trifluoromethyl)-, ion(1-) (CAS 75899-44-4) is a chemical compound with molecular formula C8H4F3O2- and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)benzoate
Also Known As: 3-Trifluoromethylbenzoate, 3-(trifluoromethyl)benzoate, Benzoic acid, 3-(trifluoromethyl)-, ion(1-)
| Molecular Formula | C8H4F3O2- |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | 1.0689 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.01634 |
| Heavy Atoms | 13 |
| Complexity | 330.4062 |
Chemical Identifiers
| CAS Number | 75899-44-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)[O-] |
Product Overview
Benzoic acid, 3-(trifluoromethyl)-, ion(1-) (CAS 75899-44-4), with molecular formula C8H4F3O2- and molecular weight 189.02 g/mol. IUPAC: 3-(trifluoromethyl)benzoate.
Chemical Property Profile of Benzoic acid, 3-(trifluoromethyl)-, ion(1-)
Property Insights of Benzoic acid, 3-(trifluoromethyl)-, ion(1-)
The XLogP value of 1.0689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(trifluoromethyl)-, ion(1-). With a topological polar surface area (TPSA) of 40.13 Ų, Benzoic acid, 3-(trifluoromethyl)-, ion(1-) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(trifluoromethyl)-, ion(1-) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-(trifluoromethyl)-, ion(1-)?
The CAS number of Benzoic acid, 3-(trifluoromethyl)-, ion(1-) is 75899-44-4.
What is the molecular formula of Benzoic acid, 3-(trifluoromethyl)-, ion(1-)?
The molecular formula of Benzoic acid, 3-(trifluoromethyl)-, ion(1-) is C8H4F3O2-.
What is the molecular weight of Benzoic acid, 3-(trifluoromethyl)-, ion(1-)?
The molecular weight of Benzoic acid, 3-(trifluoromethyl)-, ion(1-) is 189.02 g/mol.
Where can I buy Benzoic acid, 3-(trifluoromethyl)-, ion(1-)?
You can request a quote for Benzoic acid, 3-(trifluoromethyl)-, ion(1-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(trifluoromethyl)-, ion(1-)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(trifluoromethyl)-, ion(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.