![1-[(4-Nitrophenoxy)methyl]benzotriazole structure](/static/products/1268/126865-93-8.webp)
1-[(4-Nitrophenoxy)methyl]benzotriazole
TL;DR: 1-[(4-Nitrophenoxy)methyl]benzotriazole (CAS 126865-93-8) is a chemical compound with molecular formula C13H10N4O3 and molecular weight 270.0753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-nitrophenoxy)methyl]benzotriazole
Also Known As: starbld0004973, 1-[(4-nitrophenoxy)methyl]benzotriazole, 1-(4-Nitrophenoxymethyl)-1H-1,2,3-benzotriazole, 1-((4-Nitrophenoxy)methyl)-1H-benzo[d][1,2,3]triazole, 1-[(4-nitrophenoxy)methyl]-1H-1,2,3-benzotriazole
Technical Specifications
| Molecular Formula | C13H10N4O3 |
| Molecular Weight | 270.0753 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0753 Da |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2COC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | MHLVJGAQNCWOCO-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(4-Nitrophenoxy)methyl]benzotriazole
Property Insights of 1-[(4-Nitrophenoxy)methyl]benzotriazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Nitrophenoxy)methyl]benzotriazole. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Nitrophenoxy)methyl]benzotriazole. Following Lipinski's Rule of Five, 1-[(4-Nitrophenoxy)methyl]benzotriazole has 0 hydrogen bond donor(s) and 5 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-[(4-Nitrophenoxy)methyl]benzotriazole?
The CAS number of 1-[(4-Nitrophenoxy)methyl]benzotriazole is 126865-93-8.
What is the molecular formula of 1-[(4-Nitrophenoxy)methyl]benzotriazole?
The molecular formula of 1-[(4-Nitrophenoxy)methyl]benzotriazole is C13H10N4O3.
What is the molecular weight of 1-[(4-Nitrophenoxy)methyl]benzotriazole?
The molecular weight of 1-[(4-Nitrophenoxy)methyl]benzotriazole is 270.0753 g/mol.
Where can I buy 1-[(4-Nitrophenoxy)methyl]benzotriazole?
You can request a quote for 1-[(4-Nitrophenoxy)methyl]benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(4-Nitrophenoxy)methyl]benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-[(4-Nitrophenoxy)methyl]benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.