1-Fluoro-2-(isocyanatomethyl)benzene
TL;DR: 1-Fluoro-2-(isocyanatomethyl)benzene (CAS 132740-44-4) is a chemical compound with molecular formula C8H6FNO and molecular weight 151.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-(isocyanatomethyl)benzene
Also Known As: 2-Fluorobenzyl isocyanate, 2-Fluorobenzylisocyanate, 1-fluoro-2-(isocyanatomethyl)benzene, benzene, 1-fluoro-2-(isocyanatomethyl)-, 2-Fluorobenzyl isocyanate, 97%
| Molecular Formula | C8H6FNO |
|---|---|
| Molecular Weight | 151.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.04333 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 132740-44-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN=C=O)F |
| InChIKey | UKESSRSRKDVNBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-2-(isocyanatomethyl)benzene (CAS 132740-44-4), with molecular formula C8H6FNO and molecular weight 151.04 g/mol. IUPAC: 1-fluoro-2-(isocyanatomethyl)benzene.
Chemical Property Profile of 1-Fluoro-2-(isocyanatomethyl)benzene
Property Insights of 1-Fluoro-2-(isocyanatomethyl)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-2-(isocyanatomethyl)benzene. With a topological polar surface area (TPSA) of 29.4 Ų, 1-Fluoro-2-(isocyanatomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-2-(isocyanatomethyl)benzene has 0 hydrogen bond donor(s) and 3 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-Fluoro-2-(isocyanatomethyl)benzene?
The CAS number of 1-Fluoro-2-(isocyanatomethyl)benzene is 132740-44-4.
What is the molecular formula of 1-Fluoro-2-(isocyanatomethyl)benzene?
The molecular formula of 1-Fluoro-2-(isocyanatomethyl)benzene is C8H6FNO.
What is the molecular weight of 1-Fluoro-2-(isocyanatomethyl)benzene?
The molecular weight of 1-Fluoro-2-(isocyanatomethyl)benzene is 151.04 g/mol.
Where can I buy 1-Fluoro-2-(isocyanatomethyl)benzene?
You can request a quote for 1-Fluoro-2-(isocyanatomethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-2-(isocyanatomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-2-(isocyanatomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.