Methyl 4-formyl-3-nitrobenzoate
TL;DR: Methyl 4-formyl-3-nitrobenzoate (CAS 153813-69-5) is a chemical compound with molecular formula C9H7NO5 and molecular weight 209.03242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-formyl-3-nitrobenzoate
Also Known As: Methyl 4-formyl-3-nitrobenzoate, Methyl 4-formyl-3-nitro-benzoate, methyl4-formyl-3-nitrobenzoate, 2,4,6-Trimethylbenzophenone, 4-Formyl-3-nitromethylbenzoate
Technical Specifications
| Molecular Formula | C9H7NO5 |
| Molecular Weight | 209.03242 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.03242 Da |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
| SMILES | COC(=O)C1=CC(=C(C=C1)C=O)[N+](=O)[O-] |
| InChIKey | WGOOPYYIMZJWMA-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-formyl-3-nitrobenzoate
Property Insights of Methyl 4-formyl-3-nitrobenzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-formyl-3-nitrobenzoate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-formyl-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-formyl-3-nitrobenzoate 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 Methyl 4-formyl-3-nitrobenzoate?
The CAS number of Methyl 4-formyl-3-nitrobenzoate is 153813-69-5.
What is the molecular formula of Methyl 4-formyl-3-nitrobenzoate?
The molecular formula of Methyl 4-formyl-3-nitrobenzoate is C9H7NO5.
What is the molecular weight of Methyl 4-formyl-3-nitrobenzoate?
The molecular weight of Methyl 4-formyl-3-nitrobenzoate is 209.03242 g/mol.
Where can I buy Methyl 4-formyl-3-nitrobenzoate?
You can request a quote for Methyl 4-formyl-3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-formyl-3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-formyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.