o-Nitrobenzylidene-p-chlorophenylacetonitrile
TL;DR: o-Nitrobenzylidene-p-chlorophenylacetonitrile (CAS 104089-71-6) is a chemical compound with molecular formula C15H9ClN2O2 and molecular weight 284.03525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-(4-chlorophenyl)-3-(2-nitrophenyl)prop-2-enenitrile
Also Known As: o-Nitrobenzylidene-p-chlorophenylacetonitrile, (Z)-2-(4-chlorophenyl)-3-(2-nitrophenyl)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C15H9ClN2O2 |
| Molecular Weight | 284.03525 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.03525 Da |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
| SMILES | C1=CC=C(C(=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | LQKLMLDWVMTZPW-UKTHLTGXSA-N |
Chemical Property Profile of o-Nitrobenzylidene-p-chlorophenylacetonitrile
Property Insights of o-Nitrobenzylidene-p-chlorophenylacetonitrile
The XLogP value of 4.2 indicates that o-Nitrobenzylidene-p-chlorophenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Nitrobenzylidene-p-chlorophenylacetonitrile. Following Lipinski's Rule of Five, o-Nitrobenzylidene-p-chlorophenylacetonitrile 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 o-Nitrobenzylidene-p-chlorophenylacetonitrile?
The CAS number of o-Nitrobenzylidene-p-chlorophenylacetonitrile is 104089-71-6.
What is the molecular formula of o-Nitrobenzylidene-p-chlorophenylacetonitrile?
The molecular formula of o-Nitrobenzylidene-p-chlorophenylacetonitrile is C15H9ClN2O2.
What is the molecular weight of o-Nitrobenzylidene-p-chlorophenylacetonitrile?
The molecular weight of o-Nitrobenzylidene-p-chlorophenylacetonitrile is 284.03525 g/mol.
Where can I buy o-Nitrobenzylidene-p-chlorophenylacetonitrile?
You can request a quote for o-Nitrobenzylidene-p-chlorophenylacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Nitrobenzylidene-p-chlorophenylacetonitrile?
Yes, CoreyChem provides custom synthesis services for o-Nitrobenzylidene-p-chlorophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.