1-Chloro-3-nitro-2-phenoxybenzene
TL;DR: 1-Chloro-3-nitro-2-phenoxybenzene (CAS 3169-74-2) 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-chloro-3-nitro-2-phenoxybenzene
Also Known As: 1-chloro-3-nitro-2-phenoxybenzene, 2-Nitro-6-chlor-1-phenoxy-benzol
| Molecular Formula | C12H8ClNO3 |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 4.0405 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.01927 |
| Heavy Atoms | 17 |
| Complexity | 542.7019 |
Chemical Identifiers
| CAS Number | 3169-74-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=CC=C2Cl)[N+](=O)[O-] |
Product Overview
1-Chloro-3-nitro-2-phenoxybenzene (CAS 3169-74-2), with molecular formula C12H8ClNO3 and molecular weight 249.02 g/mol. IUPAC: 1-chloro-3-nitro-2-phenoxybenzene.
Chemical Property Profile of 1-Chloro-3-nitro-2-phenoxybenzene
Property Insights of 1-Chloro-3-nitro-2-phenoxybenzene
The XLogP value of 4.0405 indicates that 1-Chloro-3-nitro-2-phenoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Chloro-3-nitro-2-phenoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-nitro-2-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 1-Chloro-3-nitro-2-phenoxybenzene?
The CAS number of 1-Chloro-3-nitro-2-phenoxybenzene is 3169-74-2.
What is the molecular formula of 1-Chloro-3-nitro-2-phenoxybenzene?
The molecular formula of 1-Chloro-3-nitro-2-phenoxybenzene is C12H8ClNO3.
What is the molecular weight of 1-Chloro-3-nitro-2-phenoxybenzene?
The molecular weight of 1-Chloro-3-nitro-2-phenoxybenzene is 249.02 g/mol.
Where can I buy 1-Chloro-3-nitro-2-phenoxybenzene?
You can request a quote for 1-Chloro-3-nitro-2-phenoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-nitro-2-phenoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-nitro-2-phenoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.