Ethyl 4-chloro-3-nitrobenzoate
TL;DR: Ethyl 4-chloro-3-nitrobenzoate (CAS 16588-16-2) is a chemical compound with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-3-nitrobenzoate
Also Known As: ethyl 4-chloro-3-nitrobenzoate, Benzoic acid, 4-chloro-3-nitro-, ethyl ester, Ethyl4-chloro-3-nitrobenzoate, 5-Pyridin-4-yl-1H-indole, ethyl 4-chloro-3-nitro-benzoate
| Molecular Formula | C9H8ClNO4 |
|---|---|
| Molecular Weight | 229.01 g/mol |
| LogP | 2.4249 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.01419 |
| Heavy Atoms | 15 |
| Complexity | 405.09885 |
Chemical Identifiers
| CAS Number | 16588-16-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
Ethyl 4-chloro-3-nitrobenzoate (CAS 16588-16-2), with molecular formula C9H8ClNO4 and molecular weight 229.01 g/mol. IUPAC: ethyl 4-chloro-3-nitrobenzoate.
Chemical Property Profile of Ethyl 4-chloro-3-nitrobenzoate
Property Insights of Ethyl 4-chloro-3-nitrobenzoate
The XLogP value of 2.4249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-3-nitrobenzoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4-chloro-3-nitrobenzoate 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 Ethyl 4-chloro-3-nitrobenzoate?
The CAS number of Ethyl 4-chloro-3-nitrobenzoate is 16588-16-2.
What is the molecular formula of Ethyl 4-chloro-3-nitrobenzoate?
The molecular formula of Ethyl 4-chloro-3-nitrobenzoate is C9H8ClNO4.
What is the molecular weight of Ethyl 4-chloro-3-nitrobenzoate?
The molecular weight of Ethyl 4-chloro-3-nitrobenzoate is 229.01 g/mol.
Where can I buy Ethyl 4-chloro-3-nitrobenzoate?
You can request a quote for Ethyl 4-chloro-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.