Methyl 2-formyl-6-nitrobenzoate
TL;DR: Methyl 2-formyl-6-nitrobenzoate (CAS 142314-70-3) 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 2-formyl-6-nitrobenzoate
Also Known As: methyl 2-formyl-6-nitrobenzoate, 2-Formyl-6-nitrobenzoic Acid Methyl Ester, methyl2-formyl-6-nitrobenzoate, methyl 2-formyl-6-nitro-benzoate, Benzoic acid, 2-formyl-6-nitro-, methyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7NO5 |
| Molecular Weight | 209.03242 g/mol |
| XLogP | 1.0 |
| 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=C(C=CC=C1[N+](=O)[O-])C=O |
| InChIKey | UFSGWOAUSVQOQB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-formyl-6-nitrobenzoate
Property Insights of Methyl 2-formyl-6-nitrobenzoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-formyl-6-nitrobenzoate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-formyl-6-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-formyl-6-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 2-formyl-6-nitrobenzoate?
The CAS number of Methyl 2-formyl-6-nitrobenzoate is 142314-70-3.
What is the molecular formula of Methyl 2-formyl-6-nitrobenzoate?
The molecular formula of Methyl 2-formyl-6-nitrobenzoate is C9H7NO5.
What is the molecular weight of Methyl 2-formyl-6-nitrobenzoate?
The molecular weight of Methyl 2-formyl-6-nitrobenzoate is 209.03242 g/mol.
Where can I buy Methyl 2-formyl-6-nitrobenzoate?
You can request a quote for Methyl 2-formyl-6-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-formyl-6-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-formyl-6-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.