2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile
TL;DR: 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile (CAS 175136-28-4) is a chemical compound with molecular formula C9H7ClN2O4 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3,4-dimethoxy-6-nitrobenzonitrile
Also Known As: 2-chloro-3,4-dimethoxy-6-nitrobenzonitrile, Benzonitrile, 2-chloro-3,4-dimethoxy-6-nitro-
| Molecular Formula | C9H7ClN2O4 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 2.13708 |
| Topological Polar Surface Area | 85.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.00943 |
| Heavy Atoms | 16 |
| Complexity | 481.3778 |
Chemical Identifiers
| CAS Number | 175136-28-4 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)[N+](=O)[O-])C#N)Cl)OC |
Product Overview
2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile (CAS 175136-28-4), with molecular formula C9H7ClN2O4 and molecular weight 242.01 g/mol. IUPAC: 2-chloro-3,4-dimethoxy-6-nitrobenzonitrile.
Chemical Property Profile of 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile
Property Insights of 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile
The XLogP value of 2.13708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile. The TPSA of 85.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile has 0 hydrogen bond donor(s) and 5 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-Chloro-3,4-dimethoxy-6-nitrobenzonitrile?
The CAS number of 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile is 175136-28-4.
What is the molecular formula of 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile?
The molecular formula of 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile is C9H7ClN2O4.
What is the molecular weight of 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile?
The molecular weight of 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile is 242.01 g/mol.
Where can I buy 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile?
You can request a quote for 2-Chloro-3,4-dimethoxy-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-Chloro-3,4-dimethoxy-6-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3,4-dimethoxy-6-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.