2-Methoxycarbonyl-3-fluorophenylboronic acid
TL;DR: 2-Methoxycarbonyl-3-fluorophenylboronic acid (CAS 1256355-33-5) is a chemical compound with molecular formula C8H8BFO4 and molecular weight 198.04997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-fluoro-2-methoxycarbonylphenyl)boronic acid
Also Known As: 2-METHOXYCARBONYL-3-FLUOROPHENYLBORONIC ACID, (3-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid, (3-fluoro-2-methoxycarbonylphenyl)boronic acid, Benzoic acid, 2-borono-6-fluoro-, 1-methyl ester, (3-fluoro-2-methoxycarbonyl-phenyl)boronic Acid
Technical Specifications
| Molecular Formula | C8H8BFO4 |
| Molecular Weight | 198.04997 g/mol |
| XLogP | -0.7079 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04997 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| SMILES | B(C1=C(C(=CC=C1)F)C(=O)OC)(O)O |
| InChIKey | YYMZEXVUWASNEC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methoxycarbonyl-3-fluorophenylboronic acid
Property Insights of 2-Methoxycarbonyl-3-fluorophenylboronic acid
The XLogP value of -0.7079 indicates that 2-Methoxycarbonyl-3-fluorophenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxycarbonyl-3-fluorophenylboronic acid. Following Lipinski's Rule of Five, 2-Methoxycarbonyl-3-fluorophenylboronic acid has 2 hydrogen bond donor(s) and 5 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-Methoxycarbonyl-3-fluorophenylboronic acid?
The CAS number of 2-Methoxycarbonyl-3-fluorophenylboronic acid is 1256355-33-5.
What is the molecular formula of 2-Methoxycarbonyl-3-fluorophenylboronic acid?
The molecular formula of 2-Methoxycarbonyl-3-fluorophenylboronic acid is C8H8BFO4.
What is the molecular weight of 2-Methoxycarbonyl-3-fluorophenylboronic acid?
The molecular weight of 2-Methoxycarbonyl-3-fluorophenylboronic acid is 198.04997 g/mol.
Where can I buy 2-Methoxycarbonyl-3-fluorophenylboronic acid?
You can request a quote for 2-Methoxycarbonyl-3-fluorophenylboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methoxycarbonyl-3-fluorophenylboronic acid?
Yes, CoreyChem provides custom synthesis services for 2-Methoxycarbonyl-3-fluorophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.