3-Cyano-4-fluorobenzoyl chloride
TL;DR: 3-Cyano-4-fluorobenzoyl chloride (CAS 519059-08-6) is a chemical compound with molecular formula C8H3ClFNO and molecular weight 182.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyano-4-fluorobenzoyl chloride
Also Known As: 3-cyano-4-fluorobenzoyl chloride, 3-Cyano-4-fluorobenzoyl chloride; ., Benzoyl chloride, 3-cyano-4-fluoro-
| Molecular Formula | C8H3ClFNO |
|---|---|
| Molecular Weight | 182.99 g/mol |
| LogP | 2.07638 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.98872 |
| Heavy Atoms | 12 |
| Complexity | 369.81088 |
Chemical Identifiers
| CAS Number | 519059-08-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)Cl)C#N)F |
Product Overview
3-Cyano-4-fluorobenzoyl chloride (CAS 519059-08-6), with molecular formula C8H3ClFNO and molecular weight 182.99 g/mol. IUPAC: 3-cyano-4-fluorobenzoyl chloride.
Chemical Property Profile of 3-Cyano-4-fluorobenzoyl chloride
Property Insights of 3-Cyano-4-fluorobenzoyl chloride
The XLogP value of 2.07638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-4-fluorobenzoyl chloride. With a topological polar surface area (TPSA) of 40.86 Ų, 3-Cyano-4-fluorobenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-4-fluorobenzoyl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Cyano-4-fluorobenzoyl chloride?
The CAS number of 3-Cyano-4-fluorobenzoyl chloride is 519059-08-6.
What is the molecular formula of 3-Cyano-4-fluorobenzoyl chloride?
The molecular formula of 3-Cyano-4-fluorobenzoyl chloride is C8H3ClFNO.
What is the molecular weight of 3-Cyano-4-fluorobenzoyl chloride?
The molecular weight of 3-Cyano-4-fluorobenzoyl chloride is 182.99 g/mol.
Where can I buy 3-Cyano-4-fluorobenzoyl chloride?
You can request a quote for 3-Cyano-4-fluorobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-4-fluorobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-4-fluorobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.