1,2,3-Trifluoro-4-nitrobenzene
TL;DR: 1,2,3-Trifluoro-4-nitrobenzene (CAS 771-69-7) is a chemical compound with molecular formula C6H2F3NO2 and molecular weight 177.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trifluoro-4-nitrobenzene
Also Known As: 1,2,3-Trifluoro-4-nitrobenzene, 2,3,4-Trifluoronitrobenzene, Trifluoronitrobenzene, 4-Nitro-1,2,3-trifluorobenzene, 2,3,4-trifluoro-1-nitrobenzene
| Molecular Formula | C6H2F3NO2 |
|---|---|
| Molecular Weight | 177.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.00377 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 771-69-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])F)F)F |
| InChIKey | ARCACZWMYGILNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trifluoro-4-nitrobenzene (CAS 771-69-7), with molecular formula C6H2F3NO2 and molecular weight 177.00 g/mol. IUPAC: 1,2,3-trifluoro-4-nitrobenzene.
Chemical Property Profile of 1,2,3-Trifluoro-4-nitrobenzene
Property Insights of 1,2,3-Trifluoro-4-nitrobenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trifluoro-4-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2,3-Trifluoro-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trifluoro-4-nitrobenzene 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
Frequently Asked Questions
What is the CAS number of 1,2,3-Trifluoro-4-nitrobenzene?
The CAS number of 1,2,3-Trifluoro-4-nitrobenzene is 771-69-7.
What is the molecular formula of 1,2,3-Trifluoro-4-nitrobenzene?
The molecular formula of 1,2,3-Trifluoro-4-nitrobenzene is C6H2F3NO2.
What is the molecular weight of 1,2,3-Trifluoro-4-nitrobenzene?
The molecular weight of 1,2,3-Trifluoro-4-nitrobenzene is 177.00 g/mol.
Where can I buy 1,2,3-Trifluoro-4-nitrobenzene?
You can request a quote for 1,2,3-Trifluoro-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trifluoro-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trifluoro-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.