3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile
TL;DR: 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile (CAS 126417-79-6) is a chemical compound with molecular formula C9H5ClN2O2 and molecular weight 208.00395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-chloro-3-(4-nitrophenyl)prop-2-enenitrile
Also Known As: 3-chloro-3-(4-nitrophenyl)prop-2-enenitrile, Hg]DaIt{BHv[{HhhddbhJtaAdpBDP, 3-CHLORO-3-(4-NITROPHENYL)ACRYLONITRILE, beta-Chloro-4-nitrocinnamonitrile, 2-Propenenitrile, 3-chloro-3-(4-nitrophenyl)-
Technical Specifications
| Molecular Formula | C9H5ClN2O2 |
| Molecular Weight | 208.00395 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.00395 Da |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
| SMILES | C1=CC(=CC=C1/C(=C/C#N)/Cl)[N+](=O)[O-] |
| InChIKey | PWJDADFQYZTUAQ-UITAMQMPSA-N |
Chemical Property Profile of 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile
Property Insights of 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile 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
What is the CAS number of 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile?
The CAS number of 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile is 126417-79-6.
What is the molecular formula of 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile?
The molecular formula of 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile is C9H5ClN2O2.
What is the molecular weight of 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile?
The molecular weight of 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile is 208.00395 g/mol.
Where can I buy 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile?
You can request a quote for 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-3-(4-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.