(2E)-3-(3-Nitrophenyl)-2-propenenitrile
TL;DR: (2E)-3-(3-Nitrophenyl)-2-propenenitrile (CAS 87259-18-5) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: m-Nitrocinnamonitrile, CINNAMONITRILE, m-NITRO-, 2-Propenenitrile, 3-(3-nitrophenyl)-, 3-(3-nitrophenyl)prop-2-enenitrile, (E)-3-(3-nitrophenyl)acrylonitrile
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 2.13158 |
| Topological Polar Surface Area | 66.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 390.84634 |
Chemical Identifiers
| CAS Number | 87259-18-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C#N |
Product Overview
(2E)-3-(3-Nitrophenyl)-2-propenenitrile (CAS 87259-18-5), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: (E)-3-(3-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-(3-Nitrophenyl)-2-propenenitrile
Property Insights of (2E)-3-(3-Nitrophenyl)-2-propenenitrile
The XLogP value of 2.13158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(3-Nitrophenyl)-2-propenenitrile. The TPSA of 66.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(3-Nitrophenyl)-2-propenenitrile. Following Lipinski's Rule of Five, (2E)-3-(3-Nitrophenyl)-2-propenenitrile 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 (2E)-3-(3-Nitrophenyl)-2-propenenitrile?
The CAS number of (2E)-3-(3-Nitrophenyl)-2-propenenitrile is 87259-18-5.
What is the molecular formula of (2E)-3-(3-Nitrophenyl)-2-propenenitrile?
The molecular formula of (2E)-3-(3-Nitrophenyl)-2-propenenitrile is C9H6N2O2.
What is the molecular weight of (2E)-3-(3-Nitrophenyl)-2-propenenitrile?
The molecular weight of (2E)-3-(3-Nitrophenyl)-2-propenenitrile is 174.04 g/mol.
Where can I buy (2E)-3-(3-Nitrophenyl)-2-propenenitrile?
You can request a quote for (2E)-3-(3-Nitrophenyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(3-Nitrophenyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3-Nitrophenyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.