5-(3-Nitrophenyl)isoxazole
TL;DR: 5-(3-Nitrophenyl)isoxazole (CAS 10536-62-6) is a chemical compound with molecular formula C9H6N2O3 and molecular weight 190.03784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-nitrophenyl)-1,2-oxazole
Also Known As: 5-(3-Nitrophenyl)isoxazole, 5-(3-nitrophenyl)-1,2-oxazole, Isoxazole, 5-(3-nitrophenyl)-, 5-(3-Nitrophenyl)-isoxazole, 5-(3-nitro-phenyl)-isoxazole
Technical Specifications
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.03784 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.03784 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=NO2 |
| InChIKey | RGDHTIOOORKVRQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3-Nitrophenyl)isoxazole
Property Insights of 5-(3-Nitrophenyl)isoxazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Nitrophenyl)isoxazole. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Nitrophenyl)isoxazole. Following Lipinski's Rule of Five, 5-(3-Nitrophenyl)isoxazole 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 5-(3-Nitrophenyl)isoxazole?
The CAS number of 5-(3-Nitrophenyl)isoxazole is 10536-62-6.
What is the molecular formula of 5-(3-Nitrophenyl)isoxazole?
The molecular formula of 5-(3-Nitrophenyl)isoxazole is C9H6N2O3.
What is the molecular weight of 5-(3-Nitrophenyl)isoxazole?
The molecular weight of 5-(3-Nitrophenyl)isoxazole is 190.03784 g/mol.
Where can I buy 5-(3-Nitrophenyl)isoxazole?
You can request a quote for 5-(3-Nitrophenyl)isoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3-Nitrophenyl)isoxazole?
Yes, CoreyChem provides custom synthesis services for 5-(3-Nitrophenyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.