p-Nitroacetophenone
TL;DR: p-Nitroacetophenone (CAS 100-19-6) is a chemical compound with molecular formula C8H7NO3 and molecular weight 165.04259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)ethanone
Also Known As: 4'-Nitroacetophenone, p-Nitroacetophenone, 1-(4-Nitrophenyl)ethanone, 4-NITROACETOPHENONE, p-Acetylnitrobenzene
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO3 |
| Molecular Weight | 165.04259 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.04259 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| Melting Point | 176 to 180 °F (NTP, 1992) |
| Boiling Point | 396 °F at 760 mmHg (NTP, 1992) |
| Vapor Pressure | 0.0024 [mmHg] |
| SMILES | CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YQYGPGKTNQNXMH-UHFFFAOYSA-N |
Chemical Property Profile of p-Nitroacetophenone
Property Insights of p-Nitroacetophenone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitroacetophenone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Nitroacetophenone. Following Lipinski's Rule of Five, p-Nitroacetophenone 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 p-Nitroacetophenone?
The CAS number of p-Nitroacetophenone is 100-19-6.
What is the molecular formula of p-Nitroacetophenone?
The molecular formula of p-Nitroacetophenone is C8H7NO3.
What is the molecular weight of p-Nitroacetophenone?
The molecular weight of p-Nitroacetophenone is 165.04259 g/mol.
Where can I buy p-Nitroacetophenone?
You can request a quote for p-Nitroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Nitroacetophenone?
Yes, CoreyChem provides custom synthesis services for p-Nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.