3-(2-Chloro-5-nitrophenyl)propanenitrile
TL;DR: 3-(2-Chloro-5-nitrophenyl)propanenitrile (CAS 196943-48-3) is a chemical compound with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-5-nitrophenyl)propanenitrile
Also Known As: 3-(2-chloro-5-nitrophenyl)propanenitrile, 3-(2-chloro-5-nitro-phenyl)propanenitrile
| Molecular Formula | C9H7ClN2O2 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 2.70438 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.0196 |
| Heavy Atoms | 14 |
| Complexity | 398.2887 |
Chemical Identifiers
| CAS Number | 196943-48-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CCC#N)Cl |
Product Overview
3-(2-Chloro-5-nitrophenyl)propanenitrile (CAS 196943-48-3), with molecular formula C9H7ClN2O2 and molecular weight 210.02 g/mol. IUPAC: 3-(2-chloro-5-nitrophenyl)propanenitrile.
Chemical Property Profile of 3-(2-Chloro-5-nitrophenyl)propanenitrile
Property Insights of 3-(2-Chloro-5-nitrophenyl)propanenitrile
The XLogP value of 2.70438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloro-5-nitrophenyl)propanenitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloro-5-nitrophenyl)propanenitrile. Following Lipinski's Rule of Five, 3-(2-Chloro-5-nitrophenyl)propanenitrile 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 3-(2-Chloro-5-nitrophenyl)propanenitrile?
The CAS number of 3-(2-Chloro-5-nitrophenyl)propanenitrile is 196943-48-3.
What is the molecular formula of 3-(2-Chloro-5-nitrophenyl)propanenitrile?
The molecular formula of 3-(2-Chloro-5-nitrophenyl)propanenitrile is C9H7ClN2O2.
What is the molecular weight of 3-(2-Chloro-5-nitrophenyl)propanenitrile?
The molecular weight of 3-(2-Chloro-5-nitrophenyl)propanenitrile is 210.02 g/mol.
Where can I buy 3-(2-Chloro-5-nitrophenyl)propanenitrile?
You can request a quote for 3-(2-Chloro-5-nitrophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloro-5-nitrophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-5-nitrophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.