3-Methoxy-2-nitrobenzaldehyde
TL;DR: 3-Methoxy-2-nitrobenzaldehyde (CAS 53055-05-3) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-2-nitrobenzaldehyde
Also Known As: 3-Methoxy-2-nitrobenzaldehyde, Benzaldehyde, 3-methoxy-2-nitro-, 3-methoxy-2-nitro-benzaldehyde, 2-nitro-3-methoxybenzaldehyde, 2-Nitro-3-methoxy benzaldehyde
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.0375 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0375 Da |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
| SMILES | COC1=CC=CC(=C1[N+](=O)[O-])C=O |
| InChIKey | GDTUACILWWLIJF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methoxy-2-nitrobenzaldehyde
Property Insights of 3-Methoxy-2-nitrobenzaldehyde
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-2-nitrobenzaldehyde. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-2-nitrobenzaldehyde. Following Lipinski's Rule of Five, 3-Methoxy-2-nitrobenzaldehyde has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methoxy-2-nitrobenzaldehyde?
The CAS number of 3-Methoxy-2-nitrobenzaldehyde is 53055-05-3.
What is the molecular formula of 3-Methoxy-2-nitrobenzaldehyde?
The molecular formula of 3-Methoxy-2-nitrobenzaldehyde is C8H7NO4.
What is the molecular weight of 3-Methoxy-2-nitrobenzaldehyde?
The molecular weight of 3-Methoxy-2-nitrobenzaldehyde is 181.0375 g/mol.
Where can I buy 3-Methoxy-2-nitrobenzaldehyde?
You can request a quote for 3-Methoxy-2-nitrobenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxy-2-nitrobenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Methoxy-2-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.