(2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile
TL;DR: (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile (CAS 84196-19-0) is a chemical compound with molecular formula C17H14Cl2N2O2 and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-4-nitro-5-propan-2-ylphenyl)-2-(4-chlorophenyl)acetonitrile
Also Known As: EINECS 282-429-5, (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile, 2-(2-chloro-4-nitro-5-propan-2-ylphenyl)-2-(4-chlorophenyl)acetonitrile, [2-Chloro-4-nitro-5-(propan-2-yl)phenyl](4-chlorophenyl)acetonitrile, 2-[2-chloro-4-nitro-5-(propan-2-yl)phenyl]-2-(4-chlorophenyl)acetonitrile
| Molecular Formula | C17H14Cl2N2O2 |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 5.68048 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.04324 |
| Heavy Atoms | 23 |
| Complexity | 780.4158 |
Chemical Identifiers
| CAS Number | 84196-19-0 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(C#N)C2=CC=C(C=C2)Cl |
Product Overview
(2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile (CAS 84196-19-0), with molecular formula C17H14Cl2N2O2 and molecular weight 348.04 g/mol. IUPAC: 2-(2-chloro-4-nitro-5-propan-2-ylphenyl)-2-(4-chlorophenyl)acetonitrile.
Chemical Property Profile of (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile
Property Insights of (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile
The XLogP value of 5.68048 indicates that (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile. Following Lipinski's Rule of Five, (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile?
The CAS number of (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile is 84196-19-0.
What is the molecular formula of (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile?
The molecular formula of (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile is C17H14Cl2N2O2.
What is the molecular weight of (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile?
The molecular weight of (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile is 348.04 g/mol.
Where can I buy (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile?
You can request a quote for (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.