4'-Fluoro-3'-nitroacetophenone
TL;DR: 4'-Fluoro-3'-nitroacetophenone (CAS 1396964-95-6) is a chemical compound with molecular formula C8H6FNO3 and molecular weight 183.03317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluoro-3-nitrophenyl)ethanone
Also Known As: 4'-Fluoro-3'-nitroacetophenone, 1-(4-fluoro-3-nitrophenyl)ethanone, 4-Fluoro-3-nitroacetophenone, 1-(4-fluoro-3-nitrophenyl)ethan-1-one, 1-(4-fluoro-3-nitro-phenyl)ethanone
Technical Specifications
| Molecular Formula | C8H6FNO3 |
| Molecular Weight | 183.03317 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.03317 Da |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
| SMILES | CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-] |
| InChIKey | PTCNZDJJIOLIKQ-UHFFFAOYSA-N |
Chemical Property Profile of 4'-Fluoro-3'-nitroacetophenone
Property Insights of 4'-Fluoro-3'-nitroacetophenone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Fluoro-3'-nitroacetophenone. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Fluoro-3'-nitroacetophenone. Following Lipinski's Rule of Five, 4'-Fluoro-3'-nitroacetophenone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4'-Fluoro-3'-nitroacetophenone?
The CAS number of 4'-Fluoro-3'-nitroacetophenone is 1396964-95-6.
What is the molecular formula of 4'-Fluoro-3'-nitroacetophenone?
The molecular formula of 4'-Fluoro-3'-nitroacetophenone is C8H6FNO3.
What is the molecular weight of 4'-Fluoro-3'-nitroacetophenone?
The molecular weight of 4'-Fluoro-3'-nitroacetophenone is 183.03317 g/mol.
Where can I buy 4'-Fluoro-3'-nitroacetophenone?
You can request a quote for 4'-Fluoro-3'-nitroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Fluoro-3'-nitroacetophenone?
Yes, CoreyChem provides custom synthesis services for 4'-Fluoro-3'-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.