2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone
TL;DR: 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone (CAS 111841-05-5) is a chemical compound with molecular formula C9H8BrClO2 and molecular weight 261.9396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-(5-chloro-2-methoxyphenyl)ethanone
Also Known As: 2-bromo-1-(5-chloro-2-methoxyphenyl)ethanone, 2-Bromo-1-(5-chloro-2-methoxy-phenyl)-ethanone, 4-hydroxyphenylretinamide, 2110AA, Ethanone,2-bromo-1-(5-chloro-2-methoxyphenyl)-
Technical Specifications
| Molecular Formula | C9H8BrClO2 |
| Molecular Weight | 261.9396 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.9396 Da |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
| SMILES | COC1=C(C=C(C=C1)Cl)C(=O)CBr |
| InChIKey | LKMDYDGPEROASV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone
Property Insights of 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone
The XLogP value of 3.0 indicates that 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone has 0 hydrogen bond donor(s) and 2 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-(5-chloro-2-methoxyphenyl)ethanone?
The CAS number of 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone is 111841-05-5.
What is the molecular formula of 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone?
The molecular formula of 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone is C9H8BrClO2.
What is the molecular weight of 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone?
The molecular weight of 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone is 261.9396 g/mol.
Where can I buy 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone?
You can request a quote for 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-1-(5-chloro-2-methoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.