6-Nitro-1,2-benzoxazole-3-carboxylic acid
TL;DR: 6-Nitro-1,2-benzoxazole-3-carboxylic acid (CAS 28691-50-1) is a chemical compound with molecular formula C8H4N2O5 and molecular weight 208.01202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitro-1,2-benzoxazole-3-carboxylic acid
Also Known As: 6-nitro-1,2-benzoxazole-3-carboxylic acid, 6-nitrobenzo[d]isoxazole-3-carboxylic Acid, N-PROPYLZINCBROMIDE, BEN176, 6-nitrobenzisoxazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C8H4N2O5 |
| Molecular Weight | 208.01202 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.01202 Da |
| Heavy Atoms | 15 |
| Complexity | 289.0 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])ON=C2C(=O)O |
| InChIKey | ZLEFVQVMLIQEOU-UHFFFAOYSA-N |
Chemical Property Profile of 6-Nitro-1,2-benzoxazole-3-carboxylic acid
Property Insights of 6-Nitro-1,2-benzoxazole-3-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-1,2-benzoxazole-3-carboxylic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1,2-benzoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 6-Nitro-1,2-benzoxazole-3-carboxylic acid has 1 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 6-Nitro-1,2-benzoxazole-3-carboxylic acid?
The CAS number of 6-Nitro-1,2-benzoxazole-3-carboxylic acid is 28691-50-1.
What is the molecular formula of 6-Nitro-1,2-benzoxazole-3-carboxylic acid?
The molecular formula of 6-Nitro-1,2-benzoxazole-3-carboxylic acid is C8H4N2O5.
What is the molecular weight of 6-Nitro-1,2-benzoxazole-3-carboxylic acid?
The molecular weight of 6-Nitro-1,2-benzoxazole-3-carboxylic acid is 208.01202 g/mol.
Where can I buy 6-Nitro-1,2-benzoxazole-3-carboxylic acid?
You can request a quote for 6-Nitro-1,2-benzoxazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Nitro-1,2-benzoxazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 6-Nitro-1,2-benzoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.