2-(5-Methoxy-2-nitrophenyl)propanenitrile
TL;DR: 2-(5-Methoxy-2-nitrophenyl)propanenitrile (CAS 111795-96-1) is a chemical compound with molecular formula C10H10N2O3 and molecular weight 206.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-methoxy-2-nitrophenyl)propanenitrile
Also Known As: 2-(5-methoxy-2-nitrophenyl)propanenitrile, 2-(2-Nitro-5-methoxyphenyl)propionitrile, 2-(5-methoxy-2-nitro-phenyl)propanenitrile
Technical Specifications
| Molecular Formula | C10H10N2O3 |
| Molecular Weight | 206.06914 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.06914 Da |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
| SMILES | CC(C#N)C1=C(C=CC(=C1)OC)[N+](=O)[O-] |
| InChIKey | NZLNJDPGVXYNQI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(5-Methoxy-2-nitrophenyl)propanenitrile
Property Insights of 2-(5-Methoxy-2-nitrophenyl)propanenitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Methoxy-2-nitrophenyl)propanenitrile. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Methoxy-2-nitrophenyl)propanenitrile. Following Lipinski's Rule of Five, 2-(5-Methoxy-2-nitrophenyl)propanenitrile 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 2-(5-Methoxy-2-nitrophenyl)propanenitrile?
The CAS number of 2-(5-Methoxy-2-nitrophenyl)propanenitrile is 111795-96-1.
What is the molecular formula of 2-(5-Methoxy-2-nitrophenyl)propanenitrile?
The molecular formula of 2-(5-Methoxy-2-nitrophenyl)propanenitrile is C10H10N2O3.
What is the molecular weight of 2-(5-Methoxy-2-nitrophenyl)propanenitrile?
The molecular weight of 2-(5-Methoxy-2-nitrophenyl)propanenitrile is 206.06914 g/mol.
Where can I buy 2-(5-Methoxy-2-nitrophenyl)propanenitrile?
You can request a quote for 2-(5-Methoxy-2-nitrophenyl)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(5-Methoxy-2-nitrophenyl)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(5-Methoxy-2-nitrophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.