3-(2,6-Dichlorophenyl)-3-oxopropiononitrile
TL;DR: 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile (CAS 71463-50-8) is a chemical compound with molecular formula C9H5Cl2NO and molecular weight 212.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-3-oxopropanenitrile
Also Known As: 3-(2,6-dichlorophenyl)-3-oxopropanenitrile, 2,6-Dichlorobenzoylacetonitrile, EINECS 275-488-3, 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile, Benzenepropanenitrile,2,6-dichloro-b-oxo-
| Molecular Formula | C9H5Cl2NO |
|---|---|
| Molecular Weight | 212.97 g/mol |
| LogP | 3.08978 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.97482 |
| Heavy Atoms | 13 |
| Complexity | 361.44135 |
Chemical Identifiers
| CAS Number | 71463-50-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)CC#N)Cl |
Product Overview
3-(2,6-Dichlorophenyl)-3-oxopropiononitrile (CAS 71463-50-8), with molecular formula C9H5Cl2NO and molecular weight 212.97 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile
Property Insights of 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile
The XLogP value of 3.08978 indicates that 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile 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 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile?
The CAS number of 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile is 71463-50-8.
What is the molecular formula of 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile?
The molecular formula of 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile is C9H5Cl2NO.
What is the molecular weight of 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile?
The molecular weight of 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile is 212.97 g/mol.
Where can I buy 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile?
You can request a quote for 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-Dichlorophenyl)-3-oxopropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.