1-(3-Bromophenyl)propan-2-one
TL;DR: 1-(3-Bromophenyl)propan-2-one (CAS 160189-81-1) is a chemical compound with molecular formula C9H9BrO and molecular weight 211.98367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-bromophenyl)propan-2-one
Also Known As: 3-Bromophenylacetone, 1-(3-bromophenyl)propan-2-one, 1-(3-bromophenyl)acetone, 1-(3-bromophenyl)-2-propanone, 3-bromophenyl acetone
Technical Specifications
| Molecular Formula | C9H9BrO |
| Molecular Weight | 211.98367 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.98367 Da |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| SMILES | CC(=O)CC1=CC(=CC=C1)Br |
| InChIKey | FQIZFAJMBXZVOL-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Bromophenyl)propan-2-one
Property Insights of 1-(3-Bromophenyl)propan-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromophenyl)propan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(3-Bromophenyl)propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromophenyl)propan-2-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Bromophenyl)propan-2-one?
The CAS number of 1-(3-Bromophenyl)propan-2-one is 160189-81-1.
What is the molecular formula of 1-(3-Bromophenyl)propan-2-one?
The molecular formula of 1-(3-Bromophenyl)propan-2-one is C9H9BrO.
What is the molecular weight of 1-(3-Bromophenyl)propan-2-one?
The molecular weight of 1-(3-Bromophenyl)propan-2-one is 211.98367 g/mol.
Where can I buy 1-(3-Bromophenyl)propan-2-one?
You can request a quote for 1-(3-Bromophenyl)propan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Bromophenyl)propan-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(3-Bromophenyl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.