1-Chloro-3-fluoro-2-(isocyanomethyl)benzene
TL;DR: 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene (CAS 730964-52-0) is a chemical compound with molecular formula C8H5ClFN and molecular weight 169.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-fluoro-2-(isocyanomethyl)benzene
Also Known As: 1-chloro-3-fluoro-2-(isocyanomethyl)benzene, 2-Chloro-6-fluorobenzylisocyanide
| Molecular Formula | C8H5ClFN |
|---|---|
| Molecular Weight | 169.01 g/mol |
| LogP | 2.89839 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.00946 |
| Heavy Atoms | 11 |
| Complexity | 283.20062 |
Chemical Identifiers
| CAS Number | 730964-52-0 |
|---|---|
| SMILES | [C-]#[N+]CC1=C(C=CC=C1Cl)F |
Product Overview
1-Chloro-3-fluoro-2-(isocyanomethyl)benzene (CAS 730964-52-0), with molecular formula C8H5ClFN and molecular weight 169.01 g/mol. IUPAC: 1-chloro-3-fluoro-2-(isocyanomethyl)benzene.
Chemical Property Profile of 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene
Property Insights of 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene
The XLogP value of 2.89839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene 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 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene?
The CAS number of 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene is 730964-52-0.
What is the molecular formula of 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene?
The molecular formula of 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene is C8H5ClFN.
What is the molecular weight of 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene?
The molecular weight of 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene is 169.01 g/mol.
Where can I buy 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene?
You can request a quote for 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.