Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate
TL;DR: Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate (CAS 110473-56-8) is a chemical compound with molecular formula C11H10ClNO5 and molecular weight 271.02475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate
Also Known As: ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate, Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropionate, ethyl 3-(4-chloro-3-nitro-phenyl)-3-oxo-propanoate, 4-chloro-3-nitro-beta-oxobenzenepropanoic acid ethyl ester
Technical Specifications
| Molecular Formula | C11H10ClNO5 |
| Molecular Weight | 271.02475 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.02475 Da |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
| SMILES | CCOC(=O)CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | MKHNWKZPVONWGU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate
Property Insights of Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate?
The CAS number of Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate is 110473-56-8.
What is the molecular formula of Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate?
The molecular formula of Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate is C11H10ClNO5.
What is the molecular weight of Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate?
The molecular weight of Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate is 271.02475 g/mol.
Where can I buy Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate?
You can request a quote for Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(4-chloro-3-nitrophenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.