1-Nitro-3-((1E)-2-nitroethenyl)benzene
TL;DR: 1-Nitro-3-((1E)-2-nitroethenyl)benzene (CAS 34441-47-9) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-[(E)-2-nitroethenyl]benzene
Also Known As: beta,3-Dinitrostyrene, Lexofenac, m-(2-Nitrovinyl)nitrobenzene, 1-nitro-3-(2-nitrovinyl)benzene, m,.beta.-Dinitrostyrene
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.8422 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 400.08267 |
Chemical Identifiers
| CAS Number | 34441-47-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/[N+](=O)[O-] |
Product Overview
1-Nitro-3-((1E)-2-nitroethenyl)benzene (CAS 34441-47-9), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: 1-nitro-3-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of 1-Nitro-3-((1E)-2-nitroethenyl)benzene
Property Insights of 1-Nitro-3-((1E)-2-nitroethenyl)benzene
The XLogP value of 1.8422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-3-((1E)-2-nitroethenyl)benzene. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-3-((1E)-2-nitroethenyl)benzene. Following Lipinski's Rule of Five, 1-Nitro-3-((1E)-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 1-Nitro-3-((1E)-2-nitroethenyl)benzene?
The CAS number of 1-Nitro-3-((1E)-2-nitroethenyl)benzene is 34441-47-9.
What is the molecular formula of 1-Nitro-3-((1E)-2-nitroethenyl)benzene?
The molecular formula of 1-Nitro-3-((1E)-2-nitroethenyl)benzene is C8H6N2O4.
What is the molecular weight of 1-Nitro-3-((1E)-2-nitroethenyl)benzene?
The molecular weight of 1-Nitro-3-((1E)-2-nitroethenyl)benzene is 194.03 g/mol.
Where can I buy 1-Nitro-3-((1E)-2-nitroethenyl)benzene?
You can request a quote for 1-Nitro-3-((1E)-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 1-Nitro-3-((1E)-2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3-((1E)-2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.