2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-
TL;DR: 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro- (CAS 100908-77-8) 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.
3-(2-chlorophenyl)-2-nitroprop-2-enenitrile
Also Known As: 2-Chloro-alpha-nitrocinnamonitrile, 3-(2-chlorophenyl)-2-nitroprop-2-enenitrile, 2-Propenenitrile,3-(2-chlorophenyl)-2-nitro-, 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-, CINNAMONITRILE, 2-CHLORO-alpha-NITRO-
Technical Specifications
| Molecular Formula | C9H5ClN2O2 |
| Molecular Weight | 208.00395 g/mol |
| XLogP | 2.4 |
| 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 | 300.0 |
| SMILES | C1=CC=C(C(=C1)C=C(C#N)[N+](=O)[O-])Cl |
| InChIKey | CEOKNMOSMCOCQE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-
Property Insights of 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-. Following Lipinski's Rule of Five, 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro- 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 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-?
The CAS number of 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro- is 100908-77-8.
What is the molecular formula of 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-?
The molecular formula of 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro- is C9H5ClN2O2.
What is the molecular weight of 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-?
The molecular weight of 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro- is 208.00395 g/mol.
Where can I buy 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-?
You can request a quote for 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-?
Yes, CoreyChem provides custom synthesis services for 2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.