Ethanone, 1-(3-bromo-5-nitrophenyl)-
TL;DR: Ethanone, 1-(3-bromo-5-nitrophenyl)- (CAS 127413-59-6) is a chemical compound with molecular formula C8H6BrNO3 and molecular weight 242.95311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-bromo-5-nitrophenyl)ethanone
Also Known As: 1-(3-bromo-5-nitrophenyl)ethanone, 1-(3-bromo-5-nitrophenyl)ethan-1-one, ETHANONE, 1-(3-BROMO-5-NITROPHENYL)-, 3-bromo-5-nitroacetophenone, 1-(3-bromo-5-nitro-phenyl)ethanone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6BrNO3 |
| Molecular Weight | 242.95311 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.95311 Da |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
| SMILES | CC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-] |
| InChIKey | KMNMBNPBERMCLJ-UHFFFAOYSA-N |
Chemical Property Profile of Ethanone, 1-(3-bromo-5-nitrophenyl)-
Property Insights of Ethanone, 1-(3-bromo-5-nitrophenyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(3-bromo-5-nitrophenyl)-. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(3-bromo-5-nitrophenyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(3-bromo-5-nitrophenyl)- 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 Ethanone, 1-(3-bromo-5-nitrophenyl)-?
The CAS number of Ethanone, 1-(3-bromo-5-nitrophenyl)- is 127413-59-6.
What is the molecular formula of Ethanone, 1-(3-bromo-5-nitrophenyl)-?
The molecular formula of Ethanone, 1-(3-bromo-5-nitrophenyl)- is C8H6BrNO3.
What is the molecular weight of Ethanone, 1-(3-bromo-5-nitrophenyl)-?
The molecular weight of Ethanone, 1-(3-bromo-5-nitrophenyl)- is 242.95311 g/mol.
Where can I buy Ethanone, 1-(3-bromo-5-nitrophenyl)-?
You can request a quote for Ethanone, 1-(3-bromo-5-nitrophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanone, 1-(3-bromo-5-nitrophenyl)-?
Yes, CoreyChem provides custom synthesis services for Ethanone, 1-(3-bromo-5-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.