1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-
TL;DR: 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)- (CAS 15794-43-1) is a chemical compound with molecular formula C9H6N2O6 and molecular weight 238.02258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-6-(2-nitroethenyl)-1,3-benzodioxole
Also Known As: Maybridge1_006327, 5-nitro-6-(2-nitroethenyl)-1,3-benzodioxole, 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-, 5-nitro-6-(2-nitro-vinyl)-benzo[1,3]dioxole, 5-Nitro-6-(2-nitroethen-1-yl)-2H-1,3-benzodioxole
Technical Specifications
| Molecular Formula | C9H6N2O6 |
| Molecular Weight | 238.02258 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.02258 Da |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WWYLHVBUDLOVIP-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-
Property Insights of 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-?
The CAS number of 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)- is 15794-43-1.
What is the molecular formula of 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-?
The molecular formula of 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)- is C9H6N2O6.
What is the molecular weight of 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-?
The molecular weight of 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)- is 238.02258 g/mol.
Where can I buy 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-?
You can request a quote for 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxole, 5-nitro-6-(2-nitroethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.