![[3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate structure](/static/products/7783/77835-02-0.webp)
[3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate
TL;DR: [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate (CAS 77835-02-0) is a chemical compound with molecular formula C11H10ClNO4 and molecular weight 255.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chlorophenyl)-2-nitroprop-2-enyl] acetate
Also Known As: 2-Propen-1-ol,3-(2-chlorophenyl)-2-nitro-,acetate(ester)(9ci)
| Molecular Formula | C11H10ClNO4 |
|---|---|
| Molecular Weight | 255.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.02983 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 77835-02-0 |
|---|---|
| SMILES | CC(=O)OCC(=CC1=CC=CC=C1Cl)[N+](=O)[O-] |
| InChIKey | VTYWIWTXSBVBOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate (CAS 77835-02-0), with molecular formula C11H10ClNO4 and molecular weight 255.03 g/mol. IUPAC: [3-(2-chlorophenyl)-2-nitroprop-2-enyl] acetate.
Chemical Property Profile of [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate
Property Insights of [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate. Following Lipinski's Rule of Five, [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate 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 [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate?
The CAS number of [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate is 77835-02-0.
What is the molecular formula of [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate?
The molecular formula of [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate is C11H10ClNO4.
What is the molecular weight of [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate?
The molecular weight of [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate is 255.03 g/mol.
Where can I buy [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate?
You can request a quote for [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-(2-Chlorophenyl)-2-nitroprop-2-enyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.