Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)-
TL;DR: Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- (CAS 87002-18-4) is a chemical compound with molecular formula C13H6F5NO3 and molecular weight 319.03 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-[(4-nitrophenoxy)methyl]benzene
Also Known As: 1,2,3,4,5-pentafluoro-6-[(4-nitrophenoxy)methyl]benzene, Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)-, 4-NITROPHENYL PENTAFLUOROBENZYL ETHER, 1,2,3,4,5-Pentafluoro-6-((4-nitrophenoxy)methyl)benzene, 4-Nitrophenyl(2,3,4,5,6-pentafluorobenzyl) ether
| Molecular Formula | C13H6F5NO3 |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0268 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 87002-18-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | ZBEFSXOWVLJJQM-UHFFFAOYSA-N |
Product Overview
Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- (CAS 87002-18-4), with molecular formula C13H6F5NO3 and molecular weight 319.03 g/mol. IUPAC: 1,2,3,4,5-pentafluoro-6-[(4-nitrophenoxy)methyl]benzene.
Chemical Property Profile of Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)-
Property Insights of Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)-
The XLogP value of 3.7 indicates that Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- has 0 hydrogen bond donor(s) and 8 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 Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)-?
The CAS number of Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- is 87002-18-4.
What is the molecular formula of Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)-?
The molecular formula of Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- is C13H6F5NO3.
What is the molecular weight of Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)-?
The molecular weight of Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- is 319.03 g/mol.
Where can I buy Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)-?
You can request a quote for Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2,3,4,5-pentafluoro-6-((4-nitrophenoxy)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.