![(2-Nitro-phenyl)-[1,4]benzoquinone structure](/static/products/1059/105946-79-0.webp)
(2-Nitro-phenyl)-[1,4]benzoquinone
TL;DR: (2-Nitro-phenyl)-[1,4]benzoquinone (CAS 105946-79-0) is a chemical compound with molecular formula C12H7NO4 and molecular weight 229.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-nitrophenyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: (o-Nitrophenyl)-p-benzoquinone, (2-nitro-phenyl)-[1,4]benzoquinone, 2-(2-nitrophenyl)cyclohexa-2,5-diene-1,4-dione, 2'-Nitro-[1,1'-biphenyl]-2,5-dione, 2-(2-nitrophenyl)-2,5-Cyclohexadiene-1,4-dione
Technical Specifications
| Molecular Formula | C12H7NO4 |
| Molecular Weight | 229.0375 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.0375 Da |
| Heavy Atoms | 17 |
| Complexity | 430.0 |
| SMILES | C1=CC=C(C(=C1)C2=CC(=O)C=CC2=O)[N+](=O)[O-] |
| InChIKey | ARIXMRYIRAVZJZ-UHFFFAOYSA-N |
Chemical Property Profile of (2-Nitro-phenyl)-[1,4]benzoquinone
Property Insights of (2-Nitro-phenyl)-[1,4]benzoquinone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitro-phenyl)-[1,4]benzoquinone. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Nitro-phenyl)-[1,4]benzoquinone. Following Lipinski's Rule of Five, (2-Nitro-phenyl)-[1,4]benzoquinone 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
What is the CAS number of (2-Nitro-phenyl)-[1,4]benzoquinone?
The CAS number of (2-Nitro-phenyl)-[1,4]benzoquinone is 105946-79-0.
What is the molecular formula of (2-Nitro-phenyl)-[1,4]benzoquinone?
The molecular formula of (2-Nitro-phenyl)-[1,4]benzoquinone is C12H7NO4.
What is the molecular weight of (2-Nitro-phenyl)-[1,4]benzoquinone?
The molecular weight of (2-Nitro-phenyl)-[1,4]benzoquinone is 229.0375 g/mol.
Where can I buy (2-Nitro-phenyl)-[1,4]benzoquinone?
You can request a quote for (2-Nitro-phenyl)-[1,4]benzoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Nitro-phenyl)-[1,4]benzoquinone?
Yes, CoreyChem provides custom synthesis services for (2-Nitro-phenyl)-[1,4]benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.