5-Fluoro-2-nitrophenyl 2-chlorobenzoate
TL;DR: 5-Fluoro-2-nitrophenyl 2-chlorobenzoate (CAS 219689-81-3) is a chemical compound with molecular formula C13H7ClFNO4 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-2-nitrophenyl) 2-chlorobenzoate
Also Known As: 5-fluoro-2-nitrophenyl 2-chlorobenzoate, (5-fluoro-2-nitrophenyl) 2-chlorobenzoate
| Molecular Formula | C13H7ClFNO4 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 3.6065 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.00476 |
| Heavy Atoms | 20 |
| Complexity | 689.8214 |
Chemical Identifiers
| CAS Number | 219689-81-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])Cl |
Product Overview
5-Fluoro-2-nitrophenyl 2-chlorobenzoate (CAS 219689-81-3), with molecular formula C13H7ClFNO4 and molecular weight 295.00 g/mol. IUPAC: (5-fluoro-2-nitrophenyl) 2-chlorobenzoate.
Chemical Property Profile of 5-Fluoro-2-nitrophenyl 2-chlorobenzoate
Property Insights of 5-Fluoro-2-nitrophenyl 2-chlorobenzoate
The XLogP value of 3.6065 indicates that 5-Fluoro-2-nitrophenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Fluoro-2-nitrophenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 5-Fluoro-2-nitrophenyl 2-chlorobenzoate has 0 hydrogen bond donor(s) and 4 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 5-Fluoro-2-nitrophenyl 2-chlorobenzoate?
The CAS number of 5-Fluoro-2-nitrophenyl 2-chlorobenzoate is 219689-81-3.
What is the molecular formula of 5-Fluoro-2-nitrophenyl 2-chlorobenzoate?
The molecular formula of 5-Fluoro-2-nitrophenyl 2-chlorobenzoate is C13H7ClFNO4.
What is the molecular weight of 5-Fluoro-2-nitrophenyl 2-chlorobenzoate?
The molecular weight of 5-Fluoro-2-nitrophenyl 2-chlorobenzoate is 295.00 g/mol.
Where can I buy 5-Fluoro-2-nitrophenyl 2-chlorobenzoate?
You can request a quote for 5-Fluoro-2-nitrophenyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-2-nitrophenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-2-nitrophenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.