3-Bromo-4-fluorobenzoic acid
TL;DR: 3-Bromo-4-fluorobenzoic acid (CAS 1007-16-5) is a chemical compound with molecular formula C7H4BrFO2 and molecular weight 217.93787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-4-fluorobenzoic acid
Also Known As: 3-Bromo-4-fluorobenzoic acid, Benzoic acid, 3-bromo-4-fluoro-, 3-bromo-4-fluoro-benzoic acid, 3-Bromo-4-Fluorobenzoicacid, Olaparib Impurity 69
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4BrFO2 |
| Molecular Weight | 217.93787 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.93787 Da |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
| SMILES | C1=CC(=C(C=C1C(=O)O)Br)F |
| InChIKey | ONELILMJNOWXSA-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-4-fluorobenzoic acid
Property Insights of 3-Bromo-4-fluorobenzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-fluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromo-4-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-fluorobenzoic 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-fluorobenzoic acid?
The CAS number of 3-Bromo-4-fluorobenzoic acid is 1007-16-5.
What is the molecular formula of 3-Bromo-4-fluorobenzoic acid?
The molecular formula of 3-Bromo-4-fluorobenzoic acid is C7H4BrFO2.
What is the molecular weight of 3-Bromo-4-fluorobenzoic acid?
The molecular weight of 3-Bromo-4-fluorobenzoic acid is 217.93787 g/mol.
Where can I buy 3-Bromo-4-fluorobenzoic acid?
You can request a quote for 3-Bromo-4-fluorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-4-fluorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-4-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.