6-Chloro-2-nitrobenzonitrile
TL;DR: 6-Chloro-2-nitrobenzonitrile (CAS 6575-07-1) is a chemical compound with molecular formula C7H3ClN2O2 and molecular weight 181.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-nitrobenzonitrile
Also Known As: 2-Chloro-6-nitrobenzonitrile, 6-Chloro-2-nitrobenzonitrile, Metrafazoline, 2-chloro-6-nitro-benzonitrile, 3-Chloro-2-cyanonitrobenzene
| Molecular Formula | C7H3ClN2O2 |
|---|---|
| Molecular Weight | 181.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.98831 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 6575-07-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C#N)[N+](=O)[O-] |
| InChIKey | ZHLCARBDIRRRHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2-nitrobenzonitrile (CAS 6575-07-1), with molecular formula C7H3ClN2O2 and molecular weight 181.99 g/mol. IUPAC: 2-chloro-6-nitrobenzonitrile.
Chemical Property Profile of 6-Chloro-2-nitrobenzonitrile
Property Insights of 6-Chloro-2-nitrobenzonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-2-nitrobenzonitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-2-nitrobenzonitrile. Following Lipinski's Rule of Five, 6-Chloro-2-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 6-Chloro-2-nitrobenzonitrile?
The CAS number of 6-Chloro-2-nitrobenzonitrile is 6575-07-1.
What is the molecular formula of 6-Chloro-2-nitrobenzonitrile?
The molecular formula of 6-Chloro-2-nitrobenzonitrile is C7H3ClN2O2.
What is the molecular weight of 6-Chloro-2-nitrobenzonitrile?
The molecular weight of 6-Chloro-2-nitrobenzonitrile is 181.99 g/mol.
Where can I buy 6-Chloro-2-nitrobenzonitrile?
You can request a quote for 6-Chloro-2-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.