4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene
TL;DR: 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene (CAS 158863-10-6) is a chemical compound with molecular formula C13H10FNO3 and molecular weight 247.06447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-fluorophenoxy)-1-methyl-2-nitrobenzene
Also Known As: 4-(4-fluorophenoxy)-1-methyl-2-nitrobenzene, 2-Nitro-4-(4-fluorophenoxy)toluene, 2-nitro-4-(4-fluorophenoxy)-toluene, Benzene, 4-(4-fluorophenoxy)-1-methyl-2-nitro-
Technical Specifications
| Molecular Formula | C13H10FNO3 |
| Molecular Weight | 247.06447 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.06447 Da |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
| SMILES | CC1=C(C=C(C=C1)OC2=CC=C(C=C2)F)[N+](=O)[O-] |
| InChIKey | XBOFAFRVJRTNDS-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene
Property Insights of 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene
The XLogP value of 4.1 indicates that 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene 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
What is the CAS number of 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene?
The CAS number of 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene is 158863-10-6.
What is the molecular formula of 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene?
The molecular formula of 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene is C13H10FNO3.
What is the molecular weight of 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene?
The molecular weight of 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene is 247.06447 g/mol.
Where can I buy 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene?
You can request a quote for 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.