4-Chloro-2-nitro-1-(2-nitroethenyl)benzene
TL;DR: 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene (CAS 90001-58-4) 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.
4-chloro-2-nitro-1-(2-nitroethenyl)benzene
Also Known As: 4-chloro-2-nitro-1-(2-nitroethenyl)benzene, 4-chloro-2-nitro-1-[(E)-2-nitroethenyl]benzene
| Molecular Formula | C8H5ClN2O4 |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 2.5 |
| 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 | 283.0 |
Chemical Identifiers
| CAS Number | 90001-58-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=C[N+](=O)[O-] |
| InChIKey | ATWYJPVTSBKBHB-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-nitro-1-(2-nitroethenyl)benzene (CAS 90001-58-4), with molecular formula C8H5ClN2O4 and molecular weight 227.99 g/mol. IUPAC: 4-chloro-2-nitro-1-(2-nitroethenyl)benzene.
Chemical Property Profile of 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene
Property Insights of 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene. Following Lipinski's Rule of Five, 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene 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 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene?
The CAS number of 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene is 90001-58-4.
What is the molecular formula of 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene?
The molecular formula of 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene is C8H5ClN2O4.
What is the molecular weight of 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene?
The molecular weight of 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene is 227.99 g/mol.
Where can I buy 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene?
You can request a quote for 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-nitro-1-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.