Ethyl chloronitroacetate
TL;DR: Ethyl chloronitroacetate (CAS 14011-27-9) is a chemical compound with molecular formula C4H6ClNO4 and molecular weight 166.99854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-chloro-2-nitroacetate
Also Known As: Ethyl chloronitroacetate, ethyl 2-chloro-2-nitroacetate, Ethyl chloro(nitro)acetate, Ethyl-chloro-2-nitroacetate, Acetic acid, chloronitro-, ethyl ester
Technical Specifications
| Molecular Formula | C4H6ClNO4 |
| Molecular Weight | 166.99854 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.99854 Da |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
| SMILES | CCOC(=O)C([N+](=O)[O-])Cl |
| InChIKey | FITIJMZLRSVIRB-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl chloronitroacetate
Property Insights of Ethyl chloronitroacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl chloronitroacetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl chloronitroacetate. Following Lipinski's Rule of Five, Ethyl chloronitroacetate 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
What is the CAS number of Ethyl chloronitroacetate?
The CAS number of Ethyl chloronitroacetate is 14011-27-9.
What is the molecular formula of Ethyl chloronitroacetate?
The molecular formula of Ethyl chloronitroacetate is C4H6ClNO4.
What is the molecular weight of Ethyl chloronitroacetate?
The molecular weight of Ethyl chloronitroacetate is 166.99854 g/mol.
Where can I buy Ethyl chloronitroacetate?
You can request a quote for Ethyl chloronitroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl chloronitroacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl chloronitroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.