2-chloro-N-(2-cyano-4-nitrophenyl)acetamide
TL;DR: 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide (CAS 131456-85-4) is a chemical compound with molecular formula C9H6ClN3O3 and molecular weight 239.00977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-cyano-4-nitrophenyl)acetamide
Also Known As: 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide, 2-Chloro-N- -acetamide, Acetamide, 2-chloro-N-(2-cyano-4-nitrophenyl)-, Acetamide,2-chloro-N-(2-cyano-4-nitrophenyl)-, 2-chloro-N-(2-cyano-4-nitro-phenyl)acetamide
Technical Specifications
| Molecular Formula | C9H6ClN3O3 |
| Molecular Weight | 239.00977 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.00977 Da |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)CCl |
| InChIKey | ZVFPITXYMVJWTC-UHFFFAOYSA-N |
Chemical Property Profile of 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide
Property Insights of 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide has 1 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-chloro-N-(2-cyano-4-nitrophenyl)acetamide?
The CAS number of 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide is 131456-85-4.
What is the molecular formula of 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide?
The molecular formula of 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide is C9H6ClN3O3.
What is the molecular weight of 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide?
The molecular weight of 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide is 239.00977 g/mol.
Where can I buy 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide?
You can request a quote for 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-chloro-N-(2-cyano-4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.