2,3-Dichloro-6-nitrobenzonitrile
TL;DR: 2,3-Dichloro-6-nitrobenzonitrile (CAS 2112-22-3) is a chemical compound with molecular formula C7H2Cl2N2O2 and molecular weight 215.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloro-6-nitrobenzonitrile
Also Known As: 2,3-Dichloro-6-nitrobenzonitrile, Benzonitrile, 2,3-dichloro-6-nitro-, Anagrelide Impurity 18, Anagrelide Impurity 20, timtec-bb sbb010021
| Molecular Formula | C7H2Cl2N2O2 |
|---|---|
| Molecular Weight | 215.95 g/mol |
| LogP | 2.77328 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.94933 |
| Heavy Atoms | 13 |
| Complexity | 411.68893 |
Chemical Identifiers
| CAS Number | 2112-22-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])C#N)Cl)Cl |
Product Overview
2,3-Dichloro-6-nitrobenzonitrile (CAS 2112-22-3), with molecular formula C7H2Cl2N2O2 and molecular weight 215.95 g/mol. IUPAC: 2,3-dichloro-6-nitrobenzonitrile.
Chemical Property Profile of 2,3-Dichloro-6-nitrobenzonitrile
Property Insights of 2,3-Dichloro-6-nitrobenzonitrile
The XLogP value of 2.77328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-6-nitrobenzonitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dichloro-6-nitrobenzonitrile. Following Lipinski's Rule of Five, 2,3-Dichloro-6-nitrobenzonitrile has 0 hydrogen bond donor(s) and 3 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-Dichloro-6-nitrobenzonitrile?
The CAS number of 2,3-Dichloro-6-nitrobenzonitrile is 2112-22-3.
What is the molecular formula of 2,3-Dichloro-6-nitrobenzonitrile?
The molecular formula of 2,3-Dichloro-6-nitrobenzonitrile is C7H2Cl2N2O2.
What is the molecular weight of 2,3-Dichloro-6-nitrobenzonitrile?
The molecular weight of 2,3-Dichloro-6-nitrobenzonitrile is 215.95 g/mol.
Where can I buy 2,3-Dichloro-6-nitrobenzonitrile?
You can request a quote for 2,3-Dichloro-6-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichloro-6-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloro-6-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.