1-Nitrobenzotriazole
TL;DR: 1-Nitrobenzotriazole (CAS 31163-70-9) is a chemical compound with molecular formula C6H4N4O2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrobenzotriazole
Also Known As: 1-nitrobenzotriazole, 1-Nitrobenzotriazol, 1-Nitro-1H-1,2,3-benzotriazole, 1-Nitro-1H-benzotriazole, LVLGHKHYCQJDIH-UHFFFAOYSA-
| Molecular Formula | C6H4N4O2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 0.4711 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.03343 |
| Heavy Atoms | 12 |
| Complexity | 435.79562 |
Chemical Identifiers
| CAS Number | 31163-70-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2[N+](=O)[O-] |
Product Overview
1-Nitrobenzotriazole (CAS 31163-70-9), with molecular formula C6H4N4O2 and molecular weight 164.03 g/mol. IUPAC: 1-nitrobenzotriazole.
Chemical Property Profile of 1-Nitrobenzotriazole
Property Insights of 1-Nitrobenzotriazole
The XLogP value of 0.4711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitrobenzotriazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitrobenzotriazole. Following Lipinski's Rule of Five, 1-Nitrobenzotriazole 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
Frequently Asked Questions
What is the CAS number of 1-Nitrobenzotriazole?
The CAS number of 1-Nitrobenzotriazole is 31163-70-9.
What is the molecular formula of 1-Nitrobenzotriazole?
The molecular formula of 1-Nitrobenzotriazole is C6H4N4O2.
What is the molecular weight of 1-Nitrobenzotriazole?
The molecular weight of 1-Nitrobenzotriazole is 164.03 g/mol.
Where can I buy 1-Nitrobenzotriazole?
You can request a quote for 1-Nitrobenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitrobenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrobenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.