3-Bromo-4-fluorophenylacetic Acid
TL;DR: 3-Bromo-4-fluorophenylacetic Acid (CAS 110729-51-6) is a chemical compound with molecular formula C8H6BrFO2 and molecular weight 231.95352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-bromo-4-fluorophenyl)acetic acid
Also Known As: 3-Bromo-4-fluorophenylacetic Acid, 2-(3-bromo-4-fluorophenyl)acetic acid, 3-Bromo-4-fluorophenylaceticacid, (3-bromo-4-fluorophenyl)acetic acid, Benzeneacetic acid, 3-bromo-4-fluoro-
Technical Specifications
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 231.95352 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.95352 Da |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| SMILES | C1=CC(=C(C=C1CC(=O)O)Br)F |
| InChIKey | XXFGIJYSXNXNAU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-4-fluorophenylacetic Acid
Property Insights of 3-Bromo-4-fluorophenylacetic Acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-fluorophenylacetic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromo-4-fluorophenylacetic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-fluorophenylacetic Acid has 1 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 3-Bromo-4-fluorophenylacetic Acid?
The CAS number of 3-Bromo-4-fluorophenylacetic Acid is 110729-51-6.
What is the molecular formula of 3-Bromo-4-fluorophenylacetic Acid?
The molecular formula of 3-Bromo-4-fluorophenylacetic Acid is C8H6BrFO2.
What is the molecular weight of 3-Bromo-4-fluorophenylacetic Acid?
The molecular weight of 3-Bromo-4-fluorophenylacetic Acid is 231.95352 g/mol.
Where can I buy 3-Bromo-4-fluorophenylacetic Acid?
You can request a quote for 3-Bromo-4-fluorophenylacetic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-4-fluorophenylacetic Acid?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-4-fluorophenylacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.