1-(2-Chloroethoxy)-3-nitrobenzene
TL;DR: 1-(2-Chloroethoxy)-3-nitrobenzene (CAS 87291-34-7) is a chemical compound with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethoxy)-3-nitrobenzene
Also Known As: 1-(2-chloroethoxy)-3-nitrobenzene, 3-(2-Chloroethoxy)nitrobenzene, 2-Chloroethyl 3-nitrophenyl ether, 1-(2-chloro-ethoxy)-3-nitrobenzene, 1-(2-chloroethoxy)-3-nitro-benzene
| Molecular Formula | C8H8ClNO3 |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 2.2124 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.01927 |
| Heavy Atoms | 13 |
| Complexity | 303.19556 |
Chemical Identifiers
| CAS Number | 87291-34-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCl)[N+](=O)[O-] |
Product Overview
1-(2-Chloroethoxy)-3-nitrobenzene (CAS 87291-34-7), with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol. IUPAC: 1-(2-chloroethoxy)-3-nitrobenzene.
Chemical Property Profile of 1-(2-Chloroethoxy)-3-nitrobenzene
Property Insights of 1-(2-Chloroethoxy)-3-nitrobenzene
The XLogP value of 2.2124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethoxy)-3-nitrobenzene. With a topological polar surface area (TPSA) of 52.37 Ų, 1-(2-Chloroethoxy)-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethoxy)-3-nitrobenzene 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-(2-Chloroethoxy)-3-nitrobenzene?
The CAS number of 1-(2-Chloroethoxy)-3-nitrobenzene is 87291-34-7.
What is the molecular formula of 1-(2-Chloroethoxy)-3-nitrobenzene?
The molecular formula of 1-(2-Chloroethoxy)-3-nitrobenzene is C8H8ClNO3.
What is the molecular weight of 1-(2-Chloroethoxy)-3-nitrobenzene?
The molecular weight of 1-(2-Chloroethoxy)-3-nitrobenzene is 201.02 g/mol.
Where can I buy 1-(2-Chloroethoxy)-3-nitrobenzene?
You can request a quote for 1-(2-Chloroethoxy)-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethoxy)-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethoxy)-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.