Methyl 4-(2-nitroethenyl)benzoate
TL;DR: Methyl 4-(2-nitroethenyl)benzoate (CAS 115665-98-0) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(2-nitroethenyl)benzoate
Also Known As: methyl 4-(2-nitroethenyl)benzoate, methyl 4-(2-nitrovinyl)benzoate, methyl 4-[(E)-2-nitroethenyl]benzoate, methyl 4-[(e)-2-nitroethenyl]benzenecarboxylate, 4-(2-Nitro-vinyl)-benzoic acid methyl ester
Technical Specifications
| Molecular Formula | C10H9NO4 |
| Molecular Weight | 207.05316 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 Da |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)C=C[N+](=O)[O-] |
| InChIKey | CZVMCLFJQCOHGX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(2-nitroethenyl)benzoate
Property Insights of Methyl 4-(2-nitroethenyl)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-nitroethenyl)benzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-nitroethenyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-nitroethenyl)benzoate 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 Methyl 4-(2-nitroethenyl)benzoate?
The CAS number of Methyl 4-(2-nitroethenyl)benzoate is 115665-98-0.
What is the molecular formula of Methyl 4-(2-nitroethenyl)benzoate?
The molecular formula of Methyl 4-(2-nitroethenyl)benzoate is C10H9NO4.
What is the molecular weight of Methyl 4-(2-nitroethenyl)benzoate?
The molecular weight of Methyl 4-(2-nitroethenyl)benzoate is 207.05316 g/mol.
Where can I buy Methyl 4-(2-nitroethenyl)benzoate?
You can request a quote for Methyl 4-(2-nitroethenyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(2-nitroethenyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(2-nitroethenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.