2-Methoxy-4-nitrophenol acetate
TL;DR: 2-Methoxy-4-nitrophenol acetate (CAS 67851-29-0) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methoxy-4-nitrophenyl) acetate
Also Known As: 2-methoxy-4-nitrophenyl acetate, 2-METHOXY-4-NITROPHENOL ACETATE, (2-methoxy-4-nitrophenyl) acetate, 4-acetoxy-3-methoxynitrobenzene, Acetic acid 2-methoxy-4-nitrophenyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.04807 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04807 Da |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
| SMILES | CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])OC |
| InChIKey | DIKOVRNHZKVROR-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methoxy-4-nitrophenol acetate
Property Insights of 2-Methoxy-4-nitrophenol acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-nitrophenol acetate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxy-4-nitrophenol acetate. Following Lipinski's Rule of Five, 2-Methoxy-4-nitrophenol acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methoxy-4-nitrophenol acetate?
The CAS number of 2-Methoxy-4-nitrophenol acetate is 67851-29-0.
What is the molecular formula of 2-Methoxy-4-nitrophenol acetate?
The molecular formula of 2-Methoxy-4-nitrophenol acetate is C9H9NO5.
What is the molecular weight of 2-Methoxy-4-nitrophenol acetate?
The molecular weight of 2-Methoxy-4-nitrophenol acetate is 211.04807 g/mol.
Where can I buy 2-Methoxy-4-nitrophenol acetate?
You can request a quote for 2-Methoxy-4-nitrophenol acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methoxy-4-nitrophenol acetate?
Yes, CoreyChem provides custom synthesis services for 2-Methoxy-4-nitrophenol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.