2-Bromo-5-nitrobenzonitrile
TL;DR: 2-Bromo-5-nitrobenzonitrile (CAS 134604-07-2) 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.
2-bromo-5-nitrobenzonitrile
Also Known As: 2-bromo-5-nitrobenzonitrile, 1-cyano-2-bromo-5-nitrobenzene, bromo-5-nitrobenzonitrile, 2-bromo-5-nitro-benzonitrile, 2-Bromo-1-cyano-5-nitrobenzene
| 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 | 134604-07-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)Br |
Product Overview
2-Bromo-5-nitrobenzonitrile (CAS 134604-07-2), with molecular formula C7H3BrN2O2 and molecular weight 225.94 g/mol. IUPAC: 2-bromo-5-nitrobenzonitrile.
Chemical Property Profile of 2-Bromo-5-nitrobenzonitrile
Property Insights of 2-Bromo-5-nitrobenzonitrile
The XLogP value of 2.22898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-5-nitrobenzonitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-Bromo-5-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-Bromo-5-nitrobenzonitrile?
The CAS number of 2-Bromo-5-nitrobenzonitrile is 134604-07-2.
What is the molecular formula of 2-Bromo-5-nitrobenzonitrile?
The molecular formula of 2-Bromo-5-nitrobenzonitrile is C7H3BrN2O2.
What is the molecular weight of 2-Bromo-5-nitrobenzonitrile?
The molecular weight of 2-Bromo-5-nitrobenzonitrile is 225.94 g/mol.
Where can I buy 2-Bromo-5-nitrobenzonitrile?
You can request a quote for 2-Bromo-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.