![1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole structure](/static/products/1311/131182-89-3.webp)
1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole
TL;DR: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole (CAS 131182-89-3) is a chemical compound with molecular formula C13H7F3N4O2 and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-nitro-4-(trifluoromethyl)phenyl]benzotriazole
Also Known As: 1-[2-nitro-4-(trifluoromethyl)phenyl]benzotriazole, 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole
| Molecular Formula | C13H7F3N4O2 |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.05212 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 131182-89-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | VDZZUTLSGXXZHK-UHFFFAOYSA-N |
Product Overview
1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole (CAS 131182-89-3), with molecular formula C13H7F3N4O2 and molecular weight 308.05 g/mol. IUPAC: 1-[2-nitro-4-(trifluoromethyl)phenyl]benzotriazole.
Chemical Property Profile of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole
Property Insights of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole
The XLogP value of 3.5 indicates that 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 7 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-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole?
The CAS number of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole is 131182-89-3.
What is the molecular formula of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole?
The molecular formula of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole is C13H7F3N4O2.
What is the molecular weight of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole?
The molecular weight of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole is 308.05 g/mol.
Where can I buy 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole?
You can request a quote for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.