4-methoxy-2-(trifluoromethyl)benzoic Acid
TL;DR: 4-methoxy-2-(trifluoromethyl)benzoic Acid (CAS 127817-85-0) is a chemical compound with molecular formula C9H7F3O3 and molecular weight 220.03473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-2-(trifluoromethyl)benzoic acid
Also Known As: 4-methoxy-2-(trifluoromethyl)benzoic Acid, Benzoic acid, 4-methoxy-2-(trifluoromethyl)-, RARECHEM AL BE 1192, 4-Methoxy-2-trifluormethylbenzoic acid, 4-methoxy-2-trifluoromethylbenzoic acid
Technical Specifications
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.03473 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03473 Da |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| SMILES | COC1=CC(=C(C=C1)C(=O)O)C(F)(F)F |
| InChIKey | MLCRFQSWSHKLDP-UHFFFAOYSA-N |
Chemical Property Profile of 4-methoxy-2-(trifluoromethyl)benzoic Acid
Property Insights of 4-methoxy-2-(trifluoromethyl)benzoic Acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-2-(trifluoromethyl)benzoic Acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-methoxy-2-(trifluoromethyl)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methoxy-2-(trifluoromethyl)benzoic Acid has 1 hydrogen bond donor(s) and 6 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-methoxy-2-(trifluoromethyl)benzoic Acid?
The CAS number of 4-methoxy-2-(trifluoromethyl)benzoic Acid is 127817-85-0.
What is the molecular formula of 4-methoxy-2-(trifluoromethyl)benzoic Acid?
The molecular formula of 4-methoxy-2-(trifluoromethyl)benzoic Acid is C9H7F3O3.
What is the molecular weight of 4-methoxy-2-(trifluoromethyl)benzoic Acid?
The molecular weight of 4-methoxy-2-(trifluoromethyl)benzoic Acid is 220.03473 g/mol.
Where can I buy 4-methoxy-2-(trifluoromethyl)benzoic Acid?
You can request a quote for 4-methoxy-2-(trifluoromethyl)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methoxy-2-(trifluoromethyl)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-methoxy-2-(trifluoromethyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.