3-Chloro-4-fluorophenylisocyanide
TL;DR: 3-Chloro-4-fluorophenylisocyanide (CAS 602261-99-4) is a chemical compound with molecular formula C7H3ClFN and molecular weight 154.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-fluoro-4-isocyanobenzene
Also Known As: 2-chloro-1-fluoro-4-isocyanobenzene, 3-Chloro-4-fluorophenylisocyanide, 2-chloro-1-fluoro-4-isocyano-benzene, 3-Chloro-4-fluorophenyl isocyanide, BENZENE, 2-CHLORO-1-FLUORO-4-ISOCYANO-
| Molecular Formula | C7H3ClFN |
|---|---|
| Molecular Weight | 154.99 g/mol |
| LogP | 3.02989 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.9938 |
| Heavy Atoms | 10 |
| Complexity | 290.14786 |
Chemical Identifiers
| CAS Number | 602261-99-4 |
|---|---|
| SMILES | [C-]#[N+]C1=CC(=C(C=C1)F)Cl |
Product Overview
3-Chloro-4-fluorophenylisocyanide (CAS 602261-99-4), with molecular formula C7H3ClFN and molecular weight 154.99 g/mol. IUPAC: 2-chloro-1-fluoro-4-isocyanobenzene.
Chemical Property Profile of 3-Chloro-4-fluorophenylisocyanide
Property Insights of 3-Chloro-4-fluorophenylisocyanide
The XLogP value of 3.02989 indicates that 3-Chloro-4-fluorophenylisocyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 3-Chloro-4-fluorophenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluorophenylisocyanide has 0 hydrogen bond donor(s) and 0 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-Chloro-4-fluorophenylisocyanide?
The CAS number of 3-Chloro-4-fluorophenylisocyanide is 602261-99-4.
What is the molecular formula of 3-Chloro-4-fluorophenylisocyanide?
The molecular formula of 3-Chloro-4-fluorophenylisocyanide is C7H3ClFN.
What is the molecular weight of 3-Chloro-4-fluorophenylisocyanide?
The molecular weight of 3-Chloro-4-fluorophenylisocyanide is 154.99 g/mol.
Where can I buy 3-Chloro-4-fluorophenylisocyanide?
You can request a quote for 3-Chloro-4-fluorophenylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluorophenylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorophenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.