4-Bromo-3-nitrobenzonitrile
TL;DR: 4-Bromo-3-nitrobenzonitrile (CAS 89642-49-9) is a chemical compound with molecular formula C7H3BrN2O2 and molecular weight 225.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-nitrobenzonitrile
Also Known As: 4-Bromo-3-nitrobenzonitrile, 2-Bromo-5-cyanonitrobenzene, Benzonitrile, 4-bromo-3-nitro-, 3-NITRO-4-BROMOBENZONITRILE, Benzonitrile,4-bromo-3-nitro-
| Molecular Formula | C7H3BrN2O2 |
|---|---|
| Molecular Weight | 225.94 g/mol |
| LogP | 2.22898 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.93779 |
| Heavy Atoms | 12 |
| Complexity | 370.1594 |
Chemical Identifiers
| CAS Number | 89642-49-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)[N+](=O)[O-])Br |
Product Overview
4-Bromo-3-nitrobenzonitrile (CAS 89642-49-9), with molecular formula C7H3BrN2O2 and molecular weight 225.94 g/mol. IUPAC: 4-bromo-3-nitrobenzonitrile.
Chemical Property Profile of 4-Bromo-3-nitrobenzonitrile
Property Insights of 4-Bromo-3-nitrobenzonitrile
The XLogP value of 2.22898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-nitrobenzonitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-Bromo-3-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 4-Bromo-3-nitrobenzonitrile?
The CAS number of 4-Bromo-3-nitrobenzonitrile is 89642-49-9.
What is the molecular formula of 4-Bromo-3-nitrobenzonitrile?
The molecular formula of 4-Bromo-3-nitrobenzonitrile is C7H3BrN2O2.
What is the molecular weight of 4-Bromo-3-nitrobenzonitrile?
The molecular weight of 4-Bromo-3-nitrobenzonitrile is 225.94 g/mol.
Where can I buy 4-Bromo-3-nitrobenzonitrile?
You can request a quote for 4-Bromo-3-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.