1-(Chlorodifluoromethoxy)-4-nitrobenzene
TL;DR: 1-(Chlorodifluoromethoxy)-4-nitrobenzene (CAS 41016-19-7) 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.
1-[chloro(difluoro)methoxy]-4-nitrobenzene
Also Known As: 1-(chlorodifluoromethoxy)-4-nitrobenzene, 4-(chlorodifluoromethoxy)nitrobenzene, 1-[Chloro(difluoro)methoxy]-4-nitrobenzene, chloro(difluoro)methyl 4-nitrophenyl ether, 1-(Chloro-difluoro-methoxy)-4-nitro-benzene
| Molecular Formula | C7H4ClF2NO3 |
|---|---|
| Molecular Weight | 222.98 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.98477 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 41016-19-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(F)(F)Cl |
| InChIKey | WPALJCCMLCPKMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chlorodifluoromethoxy)-4-nitrobenzene (CAS 41016-19-7), with molecular formula C7H4ClF2NO3 and molecular weight 222.98 g/mol. IUPAC: 1-[chloro(difluoro)methoxy]-4-nitrobenzene.
Chemical Property Profile of 1-(Chlorodifluoromethoxy)-4-nitrobenzene
Property Insights of 1-(Chlorodifluoromethoxy)-4-nitrobenzene
The XLogP value of 3.5 indicates that 1-(Chlorodifluoromethoxy)-4-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, 1-(Chlorodifluoromethoxy)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chlorodifluoromethoxy)-4-nitrobenzene has 0 hydrogen bond donor(s) and 5 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 1-(Chlorodifluoromethoxy)-4-nitrobenzene?
The CAS number of 1-(Chlorodifluoromethoxy)-4-nitrobenzene is 41016-19-7.
What is the molecular formula of 1-(Chlorodifluoromethoxy)-4-nitrobenzene?
The molecular formula of 1-(Chlorodifluoromethoxy)-4-nitrobenzene is C7H4ClF2NO3.
What is the molecular weight of 1-(Chlorodifluoromethoxy)-4-nitrobenzene?
The molecular weight of 1-(Chlorodifluoromethoxy)-4-nitrobenzene is 222.98 g/mol.
Where can I buy 1-(Chlorodifluoromethoxy)-4-nitrobenzene?
You can request a quote for 1-(Chlorodifluoromethoxy)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chlorodifluoromethoxy)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chlorodifluoromethoxy)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.