3-(Difluoromethoxy)nitrobenzene
TL;DR: 3-(Difluoromethoxy)nitrobenzene (CAS 22236-07-3) is a chemical compound with molecular formula C7H5F2NO3 and molecular weight 189.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(difluoromethoxy)-3-nitrobenzene
Also Known As: 1-(difluoromethoxy)-3-nitrobenzene, 3-(Difluoromethoxy)nitrobenzene, 3- NITROBENZENE, 3-Nitro-a,a-difluoroanisole, 4,4,4-Trifluorocrotonamide
| Molecular Formula | C7H5F2NO3 |
|---|---|
| Molecular Weight | 189.02 g/mol |
| LogP | 2.1962 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.02374 |
| Heavy Atoms | 13 |
| Complexity | 316.3609 |
Chemical Identifiers
| CAS Number | 22236-07-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)F)[N+](=O)[O-] |
Product Overview
3-(Difluoromethoxy)nitrobenzene (CAS 22236-07-3), with molecular formula C7H5F2NO3 and molecular weight 189.02 g/mol. IUPAC: 1-(difluoromethoxy)-3-nitrobenzene.
Chemical Property Profile of 3-(Difluoromethoxy)nitrobenzene
Property Insights of 3-(Difluoromethoxy)nitrobenzene
The XLogP value of 2.1962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Difluoromethoxy)nitrobenzene. With a topological polar surface area (TPSA) of 52.37 Ų, 3-(Difluoromethoxy)nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Difluoromethoxy)nitrobenzene has 0 hydrogen bond donor(s) and 3 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-(Difluoromethoxy)nitrobenzene?
The CAS number of 3-(Difluoromethoxy)nitrobenzene is 22236-07-3.
What is the molecular formula of 3-(Difluoromethoxy)nitrobenzene?
The molecular formula of 3-(Difluoromethoxy)nitrobenzene is C7H5F2NO3.
What is the molecular weight of 3-(Difluoromethoxy)nitrobenzene?
The molecular weight of 3-(Difluoromethoxy)nitrobenzene is 189.02 g/mol.
Where can I buy 3-(Difluoromethoxy)nitrobenzene?
You can request a quote for 3-(Difluoromethoxy)nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Difluoromethoxy)nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-(Difluoromethoxy)nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.