3-chloro-6-(trifluoromethyl)phthalic Acid
TL;DR: 3-chloro-6-(trifluoromethyl)phthalic Acid (CAS 76284-58-7) is a chemical compound with molecular formula C9H4ClF3O4 and molecular weight 267.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-(trifluoromethyl)phthalic acid
Also Known As: 3-chloro-6-(trifluoromethyl)phthalic Acid, 3-chloro-6-(trifluoromethyl)benzene-1,2-dicarboxylic acid
| Molecular Formula | C9H4ClF3O4 |
|---|---|
| Molecular Weight | 267.98 g/mol |
| LogP | 2.7552 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.975 |
| Heavy Atoms | 17 |
| Complexity | 495.74973 |
Chemical Identifiers
| CAS Number | 76284-58-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1C(F)(F)F)C(=O)O)C(=O)O)Cl |
Product Overview
3-chloro-6-(trifluoromethyl)phthalic Acid (CAS 76284-58-7), with molecular formula C9H4ClF3O4 and molecular weight 267.98 g/mol. IUPAC: 3-chloro-6-(trifluoromethyl)phthalic acid.
Chemical Property Profile of 3-chloro-6-(trifluoromethyl)phthalic Acid
Property Insights of 3-chloro-6-(trifluoromethyl)phthalic Acid
The XLogP value of 2.7552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-6-(trifluoromethyl)phthalic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-6-(trifluoromethyl)phthalic Acid. Following Lipinski's Rule of Five, 3-chloro-6-(trifluoromethyl)phthalic Acid has 2 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 3-chloro-6-(trifluoromethyl)phthalic Acid?
The CAS number of 3-chloro-6-(trifluoromethyl)phthalic Acid is 76284-58-7.
What is the molecular formula of 3-chloro-6-(trifluoromethyl)phthalic Acid?
The molecular formula of 3-chloro-6-(trifluoromethyl)phthalic Acid is C9H4ClF3O4.
What is the molecular weight of 3-chloro-6-(trifluoromethyl)phthalic Acid?
The molecular weight of 3-chloro-6-(trifluoromethyl)phthalic Acid is 267.98 g/mol.
Where can I buy 3-chloro-6-(trifluoromethyl)phthalic Acid?
You can request a quote for 3-chloro-6-(trifluoromethyl)phthalic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-6-(trifluoromethyl)phthalic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-6-(trifluoromethyl)phthalic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.