1-Nitro-3-nitrosobenzene
TL;DR: 1-Nitro-3-nitrosobenzene (CAS 17122-21-3) is a chemical compound with molecular formula C6H4N2O3 and molecular weight 152.02219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-3-nitrosobenzene
Also Known As: 1-Nitro-3-nitrosobenzene, 3-Nitrosonitrobenzene, m-nitrosonitrobenzene, 3-nitronitrosobenzene, 1-nitro-3-nitroso-benzene
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H4N2O3 |
| Molecular Weight | 152.02219 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.02219 Da |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N=O |
| InChIKey | DEQKNNCVTAXLKX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitro-3-nitrosobenzene
Property Insights of 1-Nitro-3-nitrosobenzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-3-nitrosobenzene. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-3-nitrosobenzene. Following Lipinski's Rule of Five, 1-Nitro-3-nitrosobenzene 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 1-Nitro-3-nitrosobenzene?
The CAS number of 1-Nitro-3-nitrosobenzene is 17122-21-3.
What is the molecular formula of 1-Nitro-3-nitrosobenzene?
The molecular formula of 1-Nitro-3-nitrosobenzene is C6H4N2O3.
What is the molecular weight of 1-Nitro-3-nitrosobenzene?
The molecular weight of 1-Nitro-3-nitrosobenzene is 152.02219 g/mol.
Where can I buy 1-Nitro-3-nitrosobenzene?
You can request a quote for 1-Nitro-3-nitrosobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitro-3-nitrosobenzene?
Yes, CoreyChem provides custom synthesis services for 1-Nitro-3-nitrosobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.