Benzyl chlorofluoroacetate
TL;DR: Benzyl chlorofluoroacetate (CAS 243659-11-2) is a chemical compound with molecular formula C9H8ClFO2 and molecular weight 202.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-chloro-2-fluoroacetate
Also Known As: Benzyl chlorofluoroacetate, benzyl 2-chloro-2-fluoroacetate, benzyl-chlorofluoroacetate, Benzyl Chloro(Fluoro)Acetate, 2-Chloro-4-fluorobenzonitrile
| Molecular Formula | C9H8ClFO2 |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 2.2642 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.01968 |
| Heavy Atoms | 13 |
| Complexity | 274.203 |
Chemical Identifiers
| CAS Number | 243659-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(F)Cl |
Product Overview
Benzyl chlorofluoroacetate (CAS 243659-11-2), with molecular formula C9H8ClFO2 and molecular weight 202.02 g/mol. IUPAC: benzyl 2-chloro-2-fluoroacetate.
Chemical Property Profile of Benzyl chlorofluoroacetate
Property Insights of Benzyl chlorofluoroacetate
The XLogP value of 2.2642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl chlorofluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl chlorofluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl chlorofluoroacetate 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 Benzyl chlorofluoroacetate?
The CAS number of Benzyl chlorofluoroacetate is 243659-11-2.
What is the molecular formula of Benzyl chlorofluoroacetate?
The molecular formula of Benzyl chlorofluoroacetate is C9H8ClFO2.
What is the molecular weight of Benzyl chlorofluoroacetate?
The molecular weight of Benzyl chlorofluoroacetate is 202.02 g/mol.
Where can I buy Benzyl chlorofluoroacetate?
You can request a quote for Benzyl chlorofluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl chlorofluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl chlorofluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.