4-Nitrobenzoxazole
TL;DR: 4-Nitrobenzoxazole (CAS 163808-13-7) is a chemical compound with molecular formula C7H4N2O3 and molecular weight 164.02219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitro-1,3-benzoxazole
Also Known As: 4-nitro-1,3-benzoxazole, 4-Nitrobenzoxazole, 4-nitrobenzooxazole, 4-nitrobenzo[d]oxazole, Benzoxazole, 4-nitro-
Technical Specifications
| Molecular Formula | C7H4N2O3 |
| Molecular Weight | 164.02219 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.02219 Da |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| SMILES | C1=CC(=C2C(=C1)OC=N2)[N+](=O)[O-] |
| InChIKey | SLXGGFDKGANNSL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitrobenzoxazole
Property Insights of 4-Nitrobenzoxazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzoxazole. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzoxazole. Following Lipinski's Rule of Five, 4-Nitrobenzoxazole 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 4-Nitrobenzoxazole?
The CAS number of 4-Nitrobenzoxazole is 163808-13-7.
What is the molecular formula of 4-Nitrobenzoxazole?
The molecular formula of 4-Nitrobenzoxazole is C7H4N2O3.
What is the molecular weight of 4-Nitrobenzoxazole?
The molecular weight of 4-Nitrobenzoxazole is 164.02219 g/mol.
Where can I buy 4-Nitrobenzoxazole?
You can request a quote for 4-Nitrobenzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitrobenzoxazole?
Yes, CoreyChem provides custom synthesis services for 4-Nitrobenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.