Ethyl chloro(fluoro)nitroacetate
TL;DR: Ethyl chloro(fluoro)nitroacetate (CAS 1683-93-8) is a chemical compound with molecular formula C4H5ClFNO4 and molecular weight 184.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-2-fluoro-2-nitroacetate
Also Known As: Ethyl chlorofluoronitroacetate, ethyl chloro(fluoro)nitroacetate, Ethyl chloro(fluoro)(nitro)acetate, ethyl 2-chloro-2-fluoro-2-nitroacetate, Acetic acid, chlorofluoronitro-, ethyl ester
| Molecular Formula | C4H5ClFNO4 |
|---|---|
| Molecular Weight | 184.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.98912 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 1683-93-8 |
|---|---|
| SMILES | CCOC(=O)C([N+](=O)[O-])(F)Cl |
| InChIKey | YJIOSGSMXRLKEC-UHFFFAOYSA-N |
Product Overview
Ethyl chloro(fluoro)nitroacetate (CAS 1683-93-8), with molecular formula C4H5ClFNO4 and molecular weight 184.99 g/mol. IUPAC: ethyl 2-chloro-2-fluoro-2-nitroacetate.
Chemical Property Profile of Ethyl chloro(fluoro)nitroacetate
Property Insights of Ethyl chloro(fluoro)nitroacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl chloro(fluoro)nitroacetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl chloro(fluoro)nitroacetate. Following Lipinski's Rule of Five, Ethyl chloro(fluoro)nitroacetate 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
Frequently Asked Questions
What is the CAS number of Ethyl chloro(fluoro)nitroacetate?
The CAS number of Ethyl chloro(fluoro)nitroacetate is 1683-93-8.
What is the molecular formula of Ethyl chloro(fluoro)nitroacetate?
The molecular formula of Ethyl chloro(fluoro)nitroacetate is C4H5ClFNO4.
What is the molecular weight of Ethyl chloro(fluoro)nitroacetate?
The molecular weight of Ethyl chloro(fluoro)nitroacetate is 184.99 g/mol.
Where can I buy Ethyl chloro(fluoro)nitroacetate?
You can request a quote for Ethyl chloro(fluoro)nitroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl chloro(fluoro)nitroacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl chloro(fluoro)nitroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.