(3,4-dicyanophenyl)boronic Acid
TL;DR: (3,4-dicyanophenyl)boronic Acid (CAS 1375109-03-7) is a chemical compound with molecular formula C8H5BN2O2 and molecular weight 172.0444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4-dicyanophenyl)boronic acid
Also Known As: (3,4-dicyanophenyl)boronic Acid, 3,4-dicyanophenylboronic acid, Boronic acid, B-(3,4-dicyanophenyl)-, B-(3,4-Dicyanophenyl)boronic acid, G67962
Technical Specifications
| Molecular Formula | C8H5BN2O2 |
| Molecular Weight | 172.0444 g/mol |
| XLogP | -0.89024 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.0444 Da |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
| SMILES | B(C1=CC(=C(C=C1)C#N)C#N)(O)O |
| InChIKey | NSQGSRAHEZSUJO-UHFFFAOYSA-N |
Chemical Property Profile of (3,4-dicyanophenyl)boronic Acid
Property Insights of (3,4-dicyanophenyl)boronic Acid
The XLogP value of -0.89024 indicates that (3,4-dicyanophenyl)boronic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-dicyanophenyl)boronic Acid. Following Lipinski's Rule of Five, (3,4-dicyanophenyl)boronic Acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3,4-dicyanophenyl)boronic Acid?
The CAS number of (3,4-dicyanophenyl)boronic Acid is 1375109-03-7.
What is the molecular formula of (3,4-dicyanophenyl)boronic Acid?
The molecular formula of (3,4-dicyanophenyl)boronic Acid is C8H5BN2O2.
What is the molecular weight of (3,4-dicyanophenyl)boronic Acid?
The molecular weight of (3,4-dicyanophenyl)boronic Acid is 172.0444 g/mol.
Where can I buy (3,4-dicyanophenyl)boronic Acid?
You can request a quote for (3,4-dicyanophenyl)boronic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3,4-dicyanophenyl)boronic Acid?
Yes, CoreyChem provides custom synthesis services for (3,4-dicyanophenyl)boronic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.