Benzene, 1-nitro-3-phenoxy-
TL;DR: Benzene, 1-nitro-3-phenoxy- (CAS 620-55-3) is a chemical compound with molecular formula C12H9NO3 and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-phenoxybenzene
Also Known As: 1-Nitro-3-phenoxybenzene, 3-Nitrodiphenyl ether, m-Nitrophenyl phenyl ether, m-Nitrodiphenyl ether, Ether, m-nitrophenyl phenyl
| Molecular Formula | C12H9NO3 |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.05824 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 620-55-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | MEYCCIQOLYYNLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-nitro-3-phenoxy- (CAS 620-55-3), with molecular formula C12H9NO3 and molecular weight 215.06 g/mol. IUPAC: 1-nitro-3-phenoxybenzene.
Chemical Property Profile of Benzene, 1-nitro-3-phenoxy-
Property Insights of Benzene, 1-nitro-3-phenoxy-
The XLogP value of 3.7 indicates that Benzene, 1-nitro-3-phenoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1-nitro-3-phenoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-nitro-3-phenoxy- 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 Benzene, 1-nitro-3-phenoxy-?
The CAS number of Benzene, 1-nitro-3-phenoxy- is 620-55-3.
What is the molecular formula of Benzene, 1-nitro-3-phenoxy-?
The molecular formula of Benzene, 1-nitro-3-phenoxy- is C12H9NO3.
What is the molecular weight of Benzene, 1-nitro-3-phenoxy-?
The molecular weight of Benzene, 1-nitro-3-phenoxy- is 215.06 g/mol.
Where can I buy Benzene, 1-nitro-3-phenoxy-?
You can request a quote for Benzene, 1-nitro-3-phenoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-nitro-3-phenoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-nitro-3-phenoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.