Methyl 4-chloro-3-fluorobenzoate
TL;DR: Methyl 4-chloro-3-fluorobenzoate (CAS 206362-87-0) is a chemical compound with molecular formula C8H6ClFO2 and molecular weight 188.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-3-fluorobenzoate
Also Known As: methyl 4-chloro-3-fluorobenzoate, Methyl-4-chloro-3-fluorobenzoate, Benzoic acid, 4-chloro-3-fluoro-, methyl ester, methyl 4-chloro-3-fluoro-benzoate, methyl4-chloro-3-fluorobenzoate
| Molecular Formula | C8H6ClFO2 |
|---|---|
| Molecular Weight | 188.00 g/mol |
| LogP | 2.2657 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.00403 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 206362-87-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)Cl)F |
Product Overview
Methyl 4-chloro-3-fluorobenzoate (CAS 206362-87-0), with molecular formula C8H6ClFO2 and molecular weight 188.00 g/mol. IUPAC: methyl 4-chloro-3-fluorobenzoate.
Chemical Property Profile of Methyl 4-chloro-3-fluorobenzoate
Property Insights of Methyl 4-chloro-3-fluorobenzoate
The XLogP value of 2.2657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-3-fluorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-chloro-3-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chloro-3-fluorobenzoate 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 Methyl 4-chloro-3-fluorobenzoate?
The CAS number of Methyl 4-chloro-3-fluorobenzoate is 206362-87-0.
What is the molecular formula of Methyl 4-chloro-3-fluorobenzoate?
The molecular formula of Methyl 4-chloro-3-fluorobenzoate is C8H6ClFO2.
What is the molecular weight of Methyl 4-chloro-3-fluorobenzoate?
The molecular weight of Methyl 4-chloro-3-fluorobenzoate is 188.00 g/mol.
Where can I buy Methyl 4-chloro-3-fluorobenzoate?
You can request a quote for Methyl 4-chloro-3-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-3-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-3-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.