1-Chloro-4-(4-nitrophenoxy)benzene
TL;DR: 1-Chloro-4-(4-nitrophenoxy)benzene (CAS 1836-74-4) 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.
1-(4-chlorophenoxy)-4-nitrobenzene
Also Known As: 1-Chloro-4-(4-nitrophenoxy)benzene, 1-(4-Chlorophenoxy)-4-nitrobenzene, Benzene, 1-chloro-4-(4-nitrophenoxy)-, p-Chlorophenyl p-nitrophenyl ether, 4'-Chloro-4-nitrobiphenyl ether
| Molecular Formula | C12H8ClNO3 |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 4.5 |
| 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 | 253.0 |
Chemical Identifiers
| CAS Number | 1836-74-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)Cl |
| InChIKey | GDEZSMXXDMVYHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(4-nitrophenoxy)benzene (CAS 1836-74-4), with molecular formula C12H8ClNO3 and molecular weight 249.02 g/mol. IUPAC: 1-(4-chlorophenoxy)-4-nitrobenzene.
Chemical Property Profile of 1-Chloro-4-(4-nitrophenoxy)benzene
Property Insights of 1-Chloro-4-(4-nitrophenoxy)benzene
The XLogP value of 4.5 indicates that 1-Chloro-4-(4-nitrophenoxy)benzene 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-Chloro-4-(4-nitrophenoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(4-nitrophenoxy)benzene 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 1-Chloro-4-(4-nitrophenoxy)benzene?
The CAS number of 1-Chloro-4-(4-nitrophenoxy)benzene is 1836-74-4.
What is the molecular formula of 1-Chloro-4-(4-nitrophenoxy)benzene?
The molecular formula of 1-Chloro-4-(4-nitrophenoxy)benzene is C12H8ClNO3.
What is the molecular weight of 1-Chloro-4-(4-nitrophenoxy)benzene?
The molecular weight of 1-Chloro-4-(4-nitrophenoxy)benzene is 249.02 g/mol.
Where can I buy 1-Chloro-4-(4-nitrophenoxy)benzene?
You can request a quote for 1-Chloro-4-(4-nitrophenoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(4-nitrophenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(4-nitrophenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.