1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene
TL;DR: 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene (CAS 38769-97-0) is a chemical compound with molecular formula C8H5ClN2O4 and molecular weight 227.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-2-nitroethenyl)-4-nitrobenzene
Also Known As: 1-(2-chloro-2-nitroethenyl)-4-nitrobenzene, 1-[(E)-2-chloro-2-nitroethenyl]-4-nitrobenzene
| Molecular Formula | C8H5ClN2O4 |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.99379 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 38769-97-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C([N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | YVKSKDUKJHYERJ-UHFFFAOYSA-N |
Product Overview
1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene (CAS 38769-97-0), with molecular formula C8H5ClN2O4 and molecular weight 227.99 g/mol. IUPAC: 1-(2-chloro-2-nitroethenyl)-4-nitrobenzene.
Chemical Property Profile of 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene
Property Insights of 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene. Following Lipinski's Rule of Five, 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene 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 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene?
The CAS number of 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene is 38769-97-0.
What is the molecular formula of 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene?
The molecular formula of 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene is C8H5ClN2O4.
What is the molecular weight of 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene?
The molecular weight of 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene is 227.99 g/mol.
Where can I buy 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene?
You can request a quote for 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-2-nitroethenyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.