Methyl 4-fluoro-2-methoxy-5-nitrobenzoate
TL;DR: Methyl 4-fluoro-2-methoxy-5-nitrobenzoate (CAS 151793-17-8) is a chemical compound with molecular formula C9H8FNO5 and molecular weight 229.03865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-fluoro-2-methoxy-5-nitrobenzoate
Also Known As: methyl 4-fluoro-2-methoxy-5-nitrobenzoate, 4-Fluoro-2-Methoxy-5-nitro-benzoicacid, 4-Fluoro-2-methoxy-5-nitrobenzoic acid, Methyl 4-fluoro-2-methoxy-5-nitro-benzoate, 4-Fluoro-2-methoxy-5-nitro-benzoic acid
Technical Specifications
| Molecular Formula | C9H8FNO5 |
| Molecular Weight | 229.03865 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.03865 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | COC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])F |
| InChIKey | LHAVJVZNGLTPCY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-fluoro-2-methoxy-5-nitrobenzoate
Property Insights of Methyl 4-fluoro-2-methoxy-5-nitrobenzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-fluoro-2-methoxy-5-nitrobenzoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-fluoro-2-methoxy-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-fluoro-2-methoxy-5-nitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-fluoro-2-methoxy-5-nitrobenzoate?
The CAS number of Methyl 4-fluoro-2-methoxy-5-nitrobenzoate is 151793-17-8.
What is the molecular formula of Methyl 4-fluoro-2-methoxy-5-nitrobenzoate?
The molecular formula of Methyl 4-fluoro-2-methoxy-5-nitrobenzoate is C9H8FNO5.
What is the molecular weight of Methyl 4-fluoro-2-methoxy-5-nitrobenzoate?
The molecular weight of Methyl 4-fluoro-2-methoxy-5-nitrobenzoate is 229.03865 g/mol.
Where can I buy Methyl 4-fluoro-2-methoxy-5-nitrobenzoate?
You can request a quote for Methyl 4-fluoro-2-methoxy-5-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-fluoro-2-methoxy-5-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-fluoro-2-methoxy-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.