Chloromethyl m-nitrobenzyl ether
TL;DR: Chloromethyl m-nitrobenzyl ether (CAS 54397-20-5) 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-(chloromethoxymethyl)-3-nitrobenzene
Also Known As: Chloromethyl m-nitrobenzyl ether, chloromethyl 3-nitrobenzyl ether, 1-[ methyl]-3-nitrobenzene, m-Nitrobenzyloxymethyl chloride, 1-[(Chloromethoxy)methyl]-3-nitrobenzene
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.01927 g/mol |
| XLogP | 2.4 |
| 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(=CC(=C1)[N+](=O)[O-])COCCl |
| InChIKey | YNEGTYXPKSYRQH-UHFFFAOYSA-N |
Chemical Property Profile of Chloromethyl m-nitrobenzyl ether
Property Insights of Chloromethyl m-nitrobenzyl ether
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl m-nitrobenzyl ether. With a topological polar surface area (TPSA) of 55.1 Ų, Chloromethyl m-nitrobenzyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl m-nitrobenzyl ether 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 Chloromethyl m-nitrobenzyl ether?
The CAS number of Chloromethyl m-nitrobenzyl ether is 54397-20-5.
What is the molecular formula of Chloromethyl m-nitrobenzyl ether?
The molecular formula of Chloromethyl m-nitrobenzyl ether is C8H8ClNO3.
What is the molecular weight of Chloromethyl m-nitrobenzyl ether?
The molecular weight of Chloromethyl m-nitrobenzyl ether is 201.01927 g/mol.
Where can I buy Chloromethyl m-nitrobenzyl ether?
You can request a quote for Chloromethyl m-nitrobenzyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chloromethyl m-nitrobenzyl ether?
Yes, CoreyChem provides custom synthesis services for Chloromethyl m-nitrobenzyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.