3-(3-Nitrophenyl)acrylonitrile
TL;DR: 3-(3-Nitrophenyl)acrylonitrile (CAS 31145-08-1) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: N,N-DIETHYLANILINE, 3-(3-nitrophenyl)acrylonitrile, 3-(3-nitrophenyl)prop-2-enenitrile, (E)-3-(3-nitrophenyl)prop-2-enenitrile, 3-(3-NITRO-PHENYL)-ACRYLONITRILE
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.04292 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.04292 Da |
| Heavy Atoms | 13 |
| Complexity | 259.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=CC#N |
| InChIKey | YZJNQXWSVRISBC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Nitrophenyl)acrylonitrile
Property Insights of 3-(3-Nitrophenyl)acrylonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitrophenyl)acrylonitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenyl)acrylonitrile. Following Lipinski's Rule of Five, 3-(3-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
What is the CAS number of 3-(3-Nitrophenyl)acrylonitrile?
The CAS number of 3-(3-Nitrophenyl)acrylonitrile is 31145-08-1.
What is the molecular formula of 3-(3-Nitrophenyl)acrylonitrile?
The molecular formula of 3-(3-Nitrophenyl)acrylonitrile is C9H6N2O2.
What is the molecular weight of 3-(3-Nitrophenyl)acrylonitrile?
The molecular weight of 3-(3-Nitrophenyl)acrylonitrile is 174.04292 g/mol.
Where can I buy 3-(3-Nitrophenyl)acrylonitrile?
You can request a quote for 3-(3-Nitrophenyl)acrylonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Nitrophenyl)acrylonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(3-Nitrophenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.