Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-
TL;DR: Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)- (CAS 125629-17-6) is a chemical compound with molecular formula C14H8FNO3 and molecular weight 257.04883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile
Also Known As: 2,3-Dihydroxy-5-(2-fluorobenzoyl)benzonitrile, Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-, 5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile
Technical Specifications
| Molecular Formula | C14H8FNO3 |
| Molecular Weight | 257.04883 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.04883 Da |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC(=C(C(=C2)O)O)C#N)F |
| InChIKey | ZSTLBCUHYUTGRS-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-
Property Insights of Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-. Following Lipinski's Rule of Five, Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)- 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 Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-?
The CAS number of Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)- is 125629-17-6.
What is the molecular formula of Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-?
The molecular formula of Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)- is C14H8FNO3.
What is the molecular weight of Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-?
The molecular weight of Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)- is 257.04883 g/mol.
Where can I buy Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-?
You can request a quote for Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.