1-(2-Chloroethoxy)-2-nitrobenzene
TL;DR: 1-(2-Chloroethoxy)-2-nitrobenzene (CAS 102236-25-9) is a chemical compound with molecular formula C8H8ClNO3 and molecular weight 201.01927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethoxy)-2-nitrobenzene
Also Known As: 1-(2-chloroethoxy)-2-nitrobenzene, 2-(2-Chloroethoxy)nitrobenzene, 2-Nitrophenoxyethylchloride, (2'-Nitrophenoxy)-2-chloroethane, 1-(2-chloro-ethoxy)-2-nitrobenzene
Technical Specifications
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.01927 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.01927 Da |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCCCl |
| InChIKey | KHBLKVSJKHHJJP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Chloroethoxy)-2-nitrobenzene
Property Insights of 1-(2-Chloroethoxy)-2-nitrobenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethoxy)-2-nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(2-Chloroethoxy)-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethoxy)-2-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
What is the CAS number of 1-(2-Chloroethoxy)-2-nitrobenzene?
The CAS number of 1-(2-Chloroethoxy)-2-nitrobenzene is 102236-25-9.
What is the molecular formula of 1-(2-Chloroethoxy)-2-nitrobenzene?
The molecular formula of 1-(2-Chloroethoxy)-2-nitrobenzene is C8H8ClNO3.
What is the molecular weight of 1-(2-Chloroethoxy)-2-nitrobenzene?
The molecular weight of 1-(2-Chloroethoxy)-2-nitrobenzene is 201.01927 g/mol.
Where can I buy 1-(2-Chloroethoxy)-2-nitrobenzene?
You can request a quote for 1-(2-Chloroethoxy)-2-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Chloroethoxy)-2-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-(2-Chloroethoxy)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.