o-Chlorophenol chloroacetate
TL;DR: o-Chlorophenol chloroacetate (CAS 1778-95-6) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl) 2-chloroacetate
Also Known As: o-Chlorophenol chloroacetate, Phenol, o-chloro-, chloroacetate, Phenol, chloroacetate, (2-chlorophenyl) 2-chloroacetate, 2-Chlorophenyl chloroacetate
Technical Specifications
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 203.97449 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.97449 Da |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
| SMILES | C1=CC=C(C(=C1)OC(=O)CCl)Cl |
| InChIKey | JXRKGLWMAJPFNL-UHFFFAOYSA-N |
Chemical Property Profile of o-Chlorophenol chloroacetate
Property Insights of o-Chlorophenol chloroacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chlorophenol chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, o-Chlorophenol chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Chlorophenol chloroacetate 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
What is the CAS number of o-Chlorophenol chloroacetate?
The CAS number of o-Chlorophenol chloroacetate is 1778-95-6.
What is the molecular formula of o-Chlorophenol chloroacetate?
The molecular formula of o-Chlorophenol chloroacetate is C8H6Cl2O2.
What is the molecular weight of o-Chlorophenol chloroacetate?
The molecular weight of o-Chlorophenol chloroacetate is 203.97449 g/mol.
Where can I buy o-Chlorophenol chloroacetate?
You can request a quote for o-Chlorophenol chloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Chlorophenol chloroacetate?
Yes, CoreyChem provides custom synthesis services for o-Chlorophenol chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.