4-Chloro-2-fluorobenzylisocyanide
TL;DR: 4-Chloro-2-fluorobenzylisocyanide (CAS 730964-49-5) is a chemical compound with molecular formula C8H5ClFN and molecular weight 169.00946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-fluoro-1-(isocyanomethyl)benzene
Also Known As: 4-Chloro-2-fluorobenzylisocyanide, 4-chloro-2-fluoro-1-(isocyanomethyl)benzene
Technical Specifications
| Molecular Formula | C8H5ClFN |
| Molecular Weight | 169.00946 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.00946 Da |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
| SMILES | [C-]#[N+]CC1=C(C=C(C=C1)Cl)F |
| InChIKey | GNDCANIJQCPNAU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-fluorobenzylisocyanide
Property Insights of 4-Chloro-2-fluorobenzylisocyanide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-fluorobenzylisocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, 4-Chloro-2-fluorobenzylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-fluorobenzylisocyanide 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
What is the CAS number of 4-Chloro-2-fluorobenzylisocyanide?
The CAS number of 4-Chloro-2-fluorobenzylisocyanide is 730964-49-5.
What is the molecular formula of 4-Chloro-2-fluorobenzylisocyanide?
The molecular formula of 4-Chloro-2-fluorobenzylisocyanide is C8H5ClFN.
What is the molecular weight of 4-Chloro-2-fluorobenzylisocyanide?
The molecular weight of 4-Chloro-2-fluorobenzylisocyanide is 169.00946 g/mol.
Where can I buy 4-Chloro-2-fluorobenzylisocyanide?
You can request a quote for 4-Chloro-2-fluorobenzylisocyanide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-fluorobenzylisocyanide?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-fluorobenzylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.