3-Chloro-2-fluorophenylisocyanide
TL;DR: 3-Chloro-2-fluorophenylisocyanide (CAS 1030269-27-2) is a chemical compound with molecular formula C7H3ClFN and molecular weight 154.9938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-fluoro-3-isocyanobenzene
Also Known As: 3-Chloro-2-fluorophenylisocyanide, 1-chloro-2-fluoro-3-isocyanobenzene, 1-chloro-2-fluoro-3-isocyano-benzene
Technical Specifications
| Molecular Formula | C7H3ClFN |
| Molecular Weight | 154.9938 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.9938 Da |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
| SMILES | [C-]#[N+]C1=C(C(=CC=C1)Cl)F |
| InChIKey | CESOLZCXGDTJAH-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2-fluorophenylisocyanide
Property Insights of 3-Chloro-2-fluorophenylisocyanide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-fluorophenylisocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, 3-Chloro-2-fluorophenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-fluorophenylisocyanide 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 3-Chloro-2-fluorophenylisocyanide?
The CAS number of 3-Chloro-2-fluorophenylisocyanide is 1030269-27-2.
What is the molecular formula of 3-Chloro-2-fluorophenylisocyanide?
The molecular formula of 3-Chloro-2-fluorophenylisocyanide is C7H3ClFN.
What is the molecular weight of 3-Chloro-2-fluorophenylisocyanide?
The molecular weight of 3-Chloro-2-fluorophenylisocyanide is 154.9938 g/mol.
Where can I buy 3-Chloro-2-fluorophenylisocyanide?
You can request a quote for 3-Chloro-2-fluorophenylisocyanide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2-fluorophenylisocyanide?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2-fluorophenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.