2-Chloro-1-(difluoromethoxy)-4-nitrobenzene
TL;DR: 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene (CAS 40319-63-9) is a chemical compound with molecular formula C7H4ClF2NO3 and molecular weight 222.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(difluoromethoxy)-4-nitrobenzene
Also Known As: 2-chloro-1-(difluoromethoxy)-4-nitrobenzene, 2-Chloro-1-(difluoromethoxy)-4-nitro-benzene, 3-Chloro-4-(difluoromethoxy)nitrobenzene, 1-(difluoromethoxy)-2-chloro-4-nitrobenzene, Benzene, 2-chloro-1-(difluoromethoxy)-4-nitro-
| Molecular Formula | C7H4ClF2NO3 |
|---|---|
| Molecular Weight | 222.98 g/mol |
| LogP | 2.8496 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.98477 |
| Heavy Atoms | 14 |
| Complexity | 358.78818 |
Chemical Identifiers
| CAS Number | 40319-63-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC(F)F |
Product Overview
2-Chloro-1-(difluoromethoxy)-4-nitrobenzene (CAS 40319-63-9), with molecular formula C7H4ClF2NO3 and molecular weight 222.98 g/mol. IUPAC: 2-chloro-1-(difluoromethoxy)-4-nitrobenzene.
Chemical Property Profile of 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene
Property Insights of 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene
The XLogP value of 2.8496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene. With a topological polar surface area (TPSA) of 52.37 Ų, 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(difluoromethoxy)-4-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 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene?
The CAS number of 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene is 40319-63-9.
What is the molecular formula of 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene?
The molecular formula of 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene is C7H4ClF2NO3.
What is the molecular weight of 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene?
The molecular weight of 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene is 222.98 g/mol.
Where can I buy 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene?
You can request a quote for 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(difluoromethoxy)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.