2-(2-Iodo-6-nitrophenyl)acetonitrile
TL;DR: 2-(2-Iodo-6-nitrophenyl)acetonitrile (CAS 105003-97-2) is a chemical compound with molecular formula C8H5IN2O2 and molecular weight 287.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-iodo-6-nitrophenyl)acetonitrile
Also Known As: 2-(2-iodo-6-nitrophenyl)acetonitrile, (2-iodo-6-nitrophenyl)acetonitrile, 2-(6-iodo-2-nitrophenyl)ethanenitrile
| Molecular Formula | C8H5IN2O2 |
|---|---|
| Molecular Weight | 287.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.93958 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 105003-97-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)I)CC#N)[N+](=O)[O-] |
| InChIKey | TXQNXKCKXWUZQT-UHFFFAOYSA-N |
Product Overview
2-(2-Iodo-6-nitrophenyl)acetonitrile (CAS 105003-97-2), with molecular formula C8H5IN2O2 and molecular weight 287.94 g/mol. IUPAC: 2-(2-iodo-6-nitrophenyl)acetonitrile.
Chemical Property Profile of 2-(2-Iodo-6-nitrophenyl)acetonitrile
Property Insights of 2-(2-Iodo-6-nitrophenyl)acetonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Iodo-6-nitrophenyl)acetonitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Iodo-6-nitrophenyl)acetonitrile. Following Lipinski's Rule of Five, 2-(2-Iodo-6-nitrophenyl)acetonitrile 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-(2-Iodo-6-nitrophenyl)acetonitrile?
The CAS number of 2-(2-Iodo-6-nitrophenyl)acetonitrile is 105003-97-2.
What is the molecular formula of 2-(2-Iodo-6-nitrophenyl)acetonitrile?
The molecular formula of 2-(2-Iodo-6-nitrophenyl)acetonitrile is C8H5IN2O2.
What is the molecular weight of 2-(2-Iodo-6-nitrophenyl)acetonitrile?
The molecular weight of 2-(2-Iodo-6-nitrophenyl)acetonitrile is 287.94 g/mol.
Where can I buy 2-(2-Iodo-6-nitrophenyl)acetonitrile?
You can request a quote for 2-(2-Iodo-6-nitrophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Iodo-6-nitrophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Iodo-6-nitrophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.