(Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile
TL;DR: (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile (CAS 78583-88-7) is a chemical compound with molecular formula C9H5ClN2O2 and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-chloro-3-(4-nitrophenyl)prop-2-enenitrile
Also Known As: (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile, (E)-3-chloro-3-(4-nitrophenyl)prop-2-enenitrile, (2E)-3-Chloro-3-(4-nitrophenyl)-2-propenenitrile, (2E)-3-chloro-3-(4-nitrophenyl)prop-2-enenitrile, 2-Propenenitrile, 3-chloro-3-(4-nitrophenyl)-, (2E)-
| Molecular Formula | C9H5ClN2O2 |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | 2.69808 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.00395 |
| Heavy Atoms | 14 |
| Complexity | 417.43326 |
Chemical Identifiers
| CAS Number | 78583-88-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C(=C\C#N)/Cl)[N+](=O)[O-] |
Product Overview
(Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile (CAS 78583-88-7), with molecular formula C9H5ClN2O2 and molecular weight 208.00 g/mol. IUPAC: (E)-3-chloro-3-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile
Property Insights of (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile
The XLogP value of 2.69808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile. Following Lipinski's Rule of Five, (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile 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 (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile?
The CAS number of (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile is 78583-88-7.
What is the molecular formula of (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile?
The molecular formula of (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile is C9H5ClN2O2.
What is the molecular weight of (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile?
The molecular weight of (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile is 208.00 g/mol.
Where can I buy (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile?
You can request a quote for (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-Chloro-3-(4-nitrophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.