2-Chloro-6-fluorobenzyl acetate
TL;DR: 2-Chloro-6-fluorobenzyl acetate (CAS 647824-65-5) 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.
(2-chloro-6-fluorophenyl)methyl acetate
Also Known As: 2-CHLORO-6-FLUOROBENZYL ACETATE, (2-chloro-6-fluorophenyl)methyl acetate, 2-Chloro-6-fluorobenzyl alcohol, acetate
| Molecular Formula | C9H8ClFO2 |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 2.5422 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.01968 |
| Heavy Atoms | 13 |
| Complexity | 305.14078 |
Chemical Identifiers
| CAS Number | 647824-65-5 |
|---|---|
| SMILES | CC(=O)OCC1=C(C=CC=C1Cl)F |
Product Overview
2-Chloro-6-fluorobenzyl acetate (CAS 647824-65-5), with molecular formula C9H8ClFO2 and molecular weight 202.02 g/mol. IUPAC: (2-chloro-6-fluorophenyl)methyl acetate.
Chemical Property Profile of 2-Chloro-6-fluorobenzyl acetate
Property Insights of 2-Chloro-6-fluorobenzyl acetate
The XLogP value of 2.5422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluorobenzyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloro-6-fluorobenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluorobenzyl acetate 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 2-Chloro-6-fluorobenzyl acetate?
The CAS number of 2-Chloro-6-fluorobenzyl acetate is 647824-65-5.
What is the molecular formula of 2-Chloro-6-fluorobenzyl acetate?
The molecular formula of 2-Chloro-6-fluorobenzyl acetate is C9H8ClFO2.
What is the molecular weight of 2-Chloro-6-fluorobenzyl acetate?
The molecular weight of 2-Chloro-6-fluorobenzyl acetate is 202.02 g/mol.
Where can I buy 2-Chloro-6-fluorobenzyl acetate?
You can request a quote for 2-Chloro-6-fluorobenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-fluorobenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluorobenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.