(4-Cyano-2-nitrophenyl) methyl carbonate
TL;DR: (4-Cyano-2-nitrophenyl) methyl carbonate (CAS 111318-37-7) is a chemical compound with molecular formula C9H6N2O5 and molecular weight 222.02766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-cyano-2-nitrophenyl) methyl carbonate
Also Known As: (4-cyano-2-nitrophenyl) methyl carbonate, 4-CYANO-2-NITROPHENYL METHYL CARBONATE, (4-cyano-2-nitro-phenyl) Methyl Carbonate, Carbonic acid methyl(2-nitro-4-cyanophenyl) ester
Technical Specifications
| Molecular Formula | C9H6N2O5 |
| Molecular Weight | 222.02766 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.02766 Da |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
| SMILES | COC(=O)OC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
| InChIKey | HNSLQYFHYCBSMW-UHFFFAOYSA-N |
Chemical Property Profile of (4-Cyano-2-nitrophenyl) methyl carbonate
Property Insights of (4-Cyano-2-nitrophenyl) methyl carbonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Cyano-2-nitrophenyl) methyl carbonate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Cyano-2-nitrophenyl) methyl carbonate. Following Lipinski's Rule of Five, (4-Cyano-2-nitrophenyl) methyl carbonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-Cyano-2-nitrophenyl) methyl carbonate?
The CAS number of (4-Cyano-2-nitrophenyl) methyl carbonate is 111318-37-7.
What is the molecular formula of (4-Cyano-2-nitrophenyl) methyl carbonate?
The molecular formula of (4-Cyano-2-nitrophenyl) methyl carbonate is C9H6N2O5.
What is the molecular weight of (4-Cyano-2-nitrophenyl) methyl carbonate?
The molecular weight of (4-Cyano-2-nitrophenyl) methyl carbonate is 222.02766 g/mol.
Where can I buy (4-Cyano-2-nitrophenyl) methyl carbonate?
You can request a quote for (4-Cyano-2-nitrophenyl) methyl carbonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Cyano-2-nitrophenyl) methyl carbonate?
Yes, CoreyChem provides custom synthesis services for (4-Cyano-2-nitrophenyl) methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.