Pentafluoronitrobenzene
TL;DR: Pentafluoronitrobenzene (CAS 880-78-4) is a chemical compound with molecular formula C6F5NO2 and molecular weight 212.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentafluoro-6-nitrobenzene
Also Known As: Pentafluoronitrobenzene, 1,2,3,4,5-Pentafluoro-6-nitrobenzene, Nitropentafluorobenzene, Benzene, pentafluoronitro-, 2,3,4,5,6-Pentafluoronitrobenzene
| Molecular Formula | C6F5NO2 |
|---|---|
| Molecular Weight | 212.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.98492 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 880-78-4 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)[N+](=O)[O-] |
| InChIKey | INUOFQAJCYUOJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentafluoronitrobenzene (CAS 880-78-4), with molecular formula C6F5NO2 and molecular weight 212.98 g/mol. IUPAC: 1,2,3,4,5-pentafluoro-6-nitrobenzene.
Chemical Property Profile of Pentafluoronitrobenzene
Property Insights of Pentafluoronitrobenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentafluoronitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, Pentafluoronitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoronitrobenzene 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 Pentafluoronitrobenzene?
The CAS number of Pentafluoronitrobenzene is 880-78-4.
What is the molecular formula of Pentafluoronitrobenzene?
The molecular formula of Pentafluoronitrobenzene is C6F5NO2.
What is the molecular weight of Pentafluoronitrobenzene?
The molecular weight of Pentafluoronitrobenzene is 212.98 g/mol.
Where can I buy Pentafluoronitrobenzene?
You can request a quote for Pentafluoronitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoronitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoronitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.