(2,3-Dichlorophenyl)oxoacetonitrile
TL;DR: (2,3-Dichlorophenyl)oxoacetonitrile (CAS 77668-42-9) is a chemical compound with molecular formula C8H3Cl2NO and molecular weight 198.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichlorobenzoyl cyanide
Also Known As: 2,3-dichlorobenzoyl cyanide, 2,3-Dichlorobenzoylcyanide, null, 2,3-Dichlorobenzoyl nitrile, Lamotrigine Impurity
| Molecular Formula | C8H3Cl2NO |
|---|---|
| Molecular Weight | 198.96 g/mol |
| LogP | 2.69968 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.95917 |
| Heavy Atoms | 12 |
| Complexity | 367.81088 |
Chemical Identifiers
| CAS Number | 77668-42-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)C(=O)C#N |
Product Overview
(2,3-Dichlorophenyl)oxoacetonitrile (CAS 77668-42-9), with molecular formula C8H3Cl2NO and molecular weight 198.96 g/mol. IUPAC: 2,3-dichlorobenzoyl cyanide.
Chemical Property Profile of (2,3-Dichlorophenyl)oxoacetonitrile
Property Insights of (2,3-Dichlorophenyl)oxoacetonitrile
The XLogP value of 2.69968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,3-Dichlorophenyl)oxoacetonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, (2,3-Dichlorophenyl)oxoacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3-Dichlorophenyl)oxoacetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,3-Dichlorophenyl)oxoacetonitrile?
The CAS number of (2,3-Dichlorophenyl)oxoacetonitrile is 77668-42-9.
What is the molecular formula of (2,3-Dichlorophenyl)oxoacetonitrile?
The molecular formula of (2,3-Dichlorophenyl)oxoacetonitrile is C8H3Cl2NO.
What is the molecular weight of (2,3-Dichlorophenyl)oxoacetonitrile?
The molecular weight of (2,3-Dichlorophenyl)oxoacetonitrile is 198.96 g/mol.
Where can I buy (2,3-Dichlorophenyl)oxoacetonitrile?
You can request a quote for (2,3-Dichlorophenyl)oxoacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3-Dichlorophenyl)oxoacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2,3-Dichlorophenyl)oxoacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.