2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone
TL;DR: 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone (CAS 5029-61-8) is a chemical compound with molecular formula C8H6BrNO4 and molecular weight 258.94803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-(4-hydroxy-3-nitrophenyl)ethanone
Also Known As: 2-bromo-1-(4-hydroxy-3-nitrophenyl)ethanone, Formoterol Impurity 96, 2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE, Ethanone, 2-bromo-1-(4-hydroxy-3-nitrophenyl)-, Cid 78731
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6BrNO4 |
| Molecular Weight | 258.94803 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.94803 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])O |
| InChIKey | ADFUHIYILOQDHG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone
Property Insights of 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone has 1 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 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone?
The CAS number of 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone is 5029-61-8.
What is the molecular formula of 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone?
The molecular formula of 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone is C8H6BrNO4.
What is the molecular weight of 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone?
The molecular weight of 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone is 258.94803 g/mol.
Where can I buy 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone?
You can request a quote for 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.