Benzene-1,2-dicarbonyl cyanide
TL;DR: Benzene-1,2-dicarbonyl cyanide (CAS 15707-28-5) is a chemical compound with molecular formula C10H4N2O2 and molecular weight 184.02728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene-1,2-dicarbonyl cyanide
Also Known As: benzene-1,2-dicarbonyl cyanide, 1,2-Benzenediacetonitrile,a1,a2-dioxo-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H4N2O2 |
| Molecular Weight | 184.02728 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.02728 Da |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)C#N)C(=O)C#N |
| InChIKey | IWKLZLOHCXIBNS-UHFFFAOYSA-N |
Chemical Property Profile of Benzene-1,2-dicarbonyl cyanide
Property Insights of Benzene-1,2-dicarbonyl cyanide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,2-dicarbonyl cyanide. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene-1,2-dicarbonyl cyanide. Following Lipinski's Rule of Five, Benzene-1,2-dicarbonyl cyanide 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 Benzene-1,2-dicarbonyl cyanide?
The CAS number of Benzene-1,2-dicarbonyl cyanide is 15707-28-5.
What is the molecular formula of Benzene-1,2-dicarbonyl cyanide?
The molecular formula of Benzene-1,2-dicarbonyl cyanide is C10H4N2O2.
What is the molecular weight of Benzene-1,2-dicarbonyl cyanide?
The molecular weight of Benzene-1,2-dicarbonyl cyanide is 184.02728 g/mol.
Where can I buy Benzene-1,2-dicarbonyl cyanide?
You can request a quote for Benzene-1,2-dicarbonyl cyanide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene-1,2-dicarbonyl cyanide?
Yes, CoreyChem provides custom synthesis services for Benzene-1,2-dicarbonyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.