1-Nitro-4-(2-nitrovinyl)benzene
TL;DR: 1-Nitro-4-(2-nitrovinyl)benzene (CAS 5576-98-7) 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-4-(2-nitroethenyl)benzene
Also Known As: 1-nitro-4-(2-nitrovinyl)benzene, p,beta-Dinitrostyrene, 4-Nitro-b-nitrostyrene, BETA,4-DINITROSTYRENE, 1-nitro-4-(2-nitroethenyl)benzene
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 5576-98-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HABXLWPUIWFTNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-(2-nitrovinyl)benzene (CAS 5576-98-7), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: 1-nitro-4-(2-nitroethenyl)benzene.
Chemical Property Profile of 1-Nitro-4-(2-nitrovinyl)benzene
Property Insights of 1-Nitro-4-(2-nitrovinyl)benzene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-(2-nitrovinyl)benzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4-(2-nitrovinyl)benzene. Following Lipinski's Rule of Five, 1-Nitro-4-(2-nitrovinyl)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-4-(2-nitrovinyl)benzene?
The CAS number of 1-Nitro-4-(2-nitrovinyl)benzene is 5576-98-7.
What is the molecular formula of 1-Nitro-4-(2-nitrovinyl)benzene?
The molecular formula of 1-Nitro-4-(2-nitrovinyl)benzene is C8H6N2O4.
What is the molecular weight of 1-Nitro-4-(2-nitrovinyl)benzene?
The molecular weight of 1-Nitro-4-(2-nitrovinyl)benzene is 194.03 g/mol.
Where can I buy 1-Nitro-4-(2-nitrovinyl)benzene?
You can request a quote for 1-Nitro-4-(2-nitrovinyl)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-4-(2-nitrovinyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(2-nitrovinyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.