3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene
TL;DR: 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene (CAS 182060-01-1) is a chemical compound with molecular formula C8H5FN4O2 and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluoro-4-nitrophenyl)-1,2,4-triazole
Also Known As: 1-(2-fluoro-4-nitrophenyl)-1,2,4-triazole, 1-Pyridin-2-yl-butan-1-ol, 1-(2-fluoro-4-nitrophenyl)-1H-1,2,4-triazole, 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene, 1H-1,2,4-Triazole, 1-(2-fluoro-4-nitrophenyl)-
| Molecular Formula | C8H5FN4O2 |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.3146 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03966 |
| Heavy Atoms | 15 |
| Complexity | 497.34772 |
Chemical Identifiers
| CAS Number | 182060-01-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])F)N2C=NC=N2 |
Product Overview
3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene (CAS 182060-01-1), with molecular formula C8H5FN4O2 and molecular weight 208.04 g/mol. IUPAC: 1-(2-fluoro-4-nitrophenyl)-1,2,4-triazole.
Chemical Property Profile of 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene
Property Insights of 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene
The XLogP value of 1.3146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene. Following Lipinski's Rule of Five, 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene 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 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene?
The CAS number of 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene is 182060-01-1.
What is the molecular formula of 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene?
The molecular formula of 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene is C8H5FN4O2.
What is the molecular weight of 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene?
The molecular weight of 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene is 208.04 g/mol.
Where can I buy 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene?
You can request a quote for 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-1-nitro-4-(1H-1,2,4-triazol-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.