2-Chloro-4-nitro-1-phenoxybenzene
TL;DR: 2-Chloro-4-nitro-1-phenoxybenzene (CAS 56966-69-9) is a chemical compound with molecular formula C12H8ClNO3 and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-nitro-1-phenoxybenzene
Also Known As: 2-Chloro-4-nitro-1-phenoxybenzene, 2-Chloro-4-nitrodiphenyl ether, Benzene, 2-chloro-4-nitro-1-phenoxy-, CHLORO-4-NITROPHENYL ETHER, 2-, Benzene,2-chloro-4-nitro-1-phenoxy-
| Molecular Formula | C12H8ClNO3 |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.01927 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 56966-69-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | ZIDYALDTDUSPFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-nitro-1-phenoxybenzene (CAS 56966-69-9), with molecular formula C12H8ClNO3 and molecular weight 249.02 g/mol. IUPAC: 2-chloro-4-nitro-1-phenoxybenzene.
Chemical Property Profile of 2-Chloro-4-nitro-1-phenoxybenzene
Property Insights of 2-Chloro-4-nitro-1-phenoxybenzene
The XLogP value of 4.3 indicates that 2-Chloro-4-nitro-1-phenoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Chloro-4-nitro-1-phenoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-nitro-1-phenoxybenzene 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-4-nitro-1-phenoxybenzene?
The CAS number of 2-Chloro-4-nitro-1-phenoxybenzene is 56966-69-9.
What is the molecular formula of 2-Chloro-4-nitro-1-phenoxybenzene?
The molecular formula of 2-Chloro-4-nitro-1-phenoxybenzene is C12H8ClNO3.
What is the molecular weight of 2-Chloro-4-nitro-1-phenoxybenzene?
The molecular weight of 2-Chloro-4-nitro-1-phenoxybenzene is 249.02 g/mol.
Where can I buy 2-Chloro-4-nitro-1-phenoxybenzene?
You can request a quote for 2-Chloro-4-nitro-1-phenoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-nitro-1-phenoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-nitro-1-phenoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.