2-Chloro-4'-fluoroacetophenone
TL;DR: 2-Chloro-4'-fluoroacetophenone (CAS 456-04-2) is a chemical compound with molecular formula C8H6ClFO and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(4-fluorophenyl)ethanone
Also Known As: 2-Chloro-4'-fluoroacetophenone, 2-Chloro-1-(4-fluorophenyl)ethanone, p-Fluorophenacyl chloride, 4-Fluorophenacyl chloride, 2-chloro-4-fluoroacetophenone
| Molecular Formula | C8H6ClFO |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.00912 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 456-04-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCl)F |
| InChIKey | UJZWJOQRSMOFMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4'-fluoroacetophenone (CAS 456-04-2), with molecular formula C8H6ClFO and molecular weight 172.01 g/mol. IUPAC: 2-chloro-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-Chloro-4'-fluoroacetophenone
Property Insights of 2-Chloro-4'-fluoroacetophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4'-fluoroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Chloro-4'-fluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4'-fluoroacetophenone 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-4'-fluoroacetophenone?
The CAS number of 2-Chloro-4'-fluoroacetophenone is 456-04-2.
What is the molecular formula of 2-Chloro-4'-fluoroacetophenone?
The molecular formula of 2-Chloro-4'-fluoroacetophenone is C8H6ClFO.
What is the molecular weight of 2-Chloro-4'-fluoroacetophenone?
The molecular weight of 2-Chloro-4'-fluoroacetophenone is 172.01 g/mol.
Where can I buy 2-Chloro-4'-fluoroacetophenone?
You can request a quote for 2-Chloro-4'-fluoroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4'-fluoroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4'-fluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.