2,3,6-Trifluorobenzoyl chloride
TL;DR: 2,3,6-Trifluorobenzoyl chloride (CAS 189807-20-3) is a chemical compound with molecular formula C7H2ClF3O and molecular weight 193.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trifluorobenzoyl chloride
Also Known As: 2,3,6-Trifluorobenzoyl chloride, Indophenolacetate, 2,3,6-trifluorobenzoylchloride, Benzoyl chloride, 2,3,6-trifluoro-, 2,3,6-trifluoro-benzoyl chloride
| Molecular Formula | C7H2ClF3O |
|---|---|
| Molecular Weight | 193.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.97462 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 189807-20-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1F)C(=O)Cl)F)F |
| InChIKey | DMUGJQMADYEWSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-Trifluorobenzoyl chloride (CAS 189807-20-3), with molecular formula C7H2ClF3O and molecular weight 193.97 g/mol. IUPAC: 2,3,6-trifluorobenzoyl chloride.
Chemical Property Profile of 2,3,6-Trifluorobenzoyl chloride
Property Insights of 2,3,6-Trifluorobenzoyl chloride
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6-Trifluorobenzoyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,6-Trifluorobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trifluorobenzoyl chloride has 0 hydrogen bond donor(s) and 4 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 2,3,6-Trifluorobenzoyl chloride?
The CAS number of 2,3,6-Trifluorobenzoyl chloride is 189807-20-3.
What is the molecular formula of 2,3,6-Trifluorobenzoyl chloride?
The molecular formula of 2,3,6-Trifluorobenzoyl chloride is C7H2ClF3O.
What is the molecular weight of 2,3,6-Trifluorobenzoyl chloride?
The molecular weight of 2,3,6-Trifluorobenzoyl chloride is 193.97 g/mol.
Where can I buy 2,3,6-Trifluorobenzoyl chloride?
You can request a quote for 2,3,6-Trifluorobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trifluorobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trifluorobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.