4-(1-Bromoethyl)benzoic acid
TL;DR: 4-(1-Bromoethyl)benzoic acid (CAS 113023-73-7) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.97859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-bromoethyl)benzoic acid
Also Known As: 4-(1-Bromoethyl)benzoic acid, 4-(bromoethyl)benzoic acid, Benzoic acid, 4-(1-bromoethyl)-, 4-(1-bromoethyl)-benzoic acid, 4-(1-bromo-ethyl)-benzoic acid
Technical Specifications
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 227.97859 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.97859 Da |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
| SMILES | CC(C1=CC=C(C=C1)C(=O)O)Br |
| InChIKey | VICCYULHZWEWMB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1-Bromoethyl)benzoic acid
Property Insights of 4-(1-Bromoethyl)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Bromoethyl)benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(1-Bromoethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Bromoethyl)benzoic acid has 1 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 4-(1-Bromoethyl)benzoic acid?
The CAS number of 4-(1-Bromoethyl)benzoic acid is 113023-73-7.
What is the molecular formula of 4-(1-Bromoethyl)benzoic acid?
The molecular formula of 4-(1-Bromoethyl)benzoic acid is C9H9BrO2.
What is the molecular weight of 4-(1-Bromoethyl)benzoic acid?
The molecular weight of 4-(1-Bromoethyl)benzoic acid is 227.97859 g/mol.
Where can I buy 4-(1-Bromoethyl)benzoic acid?
You can request a quote for 4-(1-Bromoethyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1-Bromoethyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(1-Bromoethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.