2-Fluoro-5-nitrophenyl isocyanate
TL;DR: 2-Fluoro-5-nitrophenyl isocyanate (CAS 68622-14-0) is a chemical compound with molecular formula C7H3FN2O3 and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-isocyanato-4-nitrobenzene
Also Known As: 2-Fluoro-5-nitrophenyl isocyanate, 1-fluoro-2-isocyanato-4-nitrobenzene, 2-fluoro-5-nitrobenzenisocyanate, 2-fluoro-5-nitrophenylisocyanate, Benzene, 1-fluoro-2-isocyanato-4-nitro-
| Molecular Formula | C7H3FN2O3 |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.01277 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 68622-14-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N=C=O)F |
| InChIKey | XCDYDLFUPMSLGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-5-nitrophenyl isocyanate (CAS 68622-14-0), with molecular formula C7H3FN2O3 and molecular weight 182.01 g/mol. IUPAC: 1-fluoro-2-isocyanato-4-nitrobenzene.
Chemical Property Profile of 2-Fluoro-5-nitrophenyl isocyanate
Property Insights of 2-Fluoro-5-nitrophenyl isocyanate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-5-nitrophenyl isocyanate. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoro-5-nitrophenyl isocyanate. Following Lipinski's Rule of Five, 2-Fluoro-5-nitrophenyl isocyanate has 0 hydrogen bond donor(s) and 5 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 2-Fluoro-5-nitrophenyl isocyanate?
The CAS number of 2-Fluoro-5-nitrophenyl isocyanate is 68622-14-0.
What is the molecular formula of 2-Fluoro-5-nitrophenyl isocyanate?
The molecular formula of 2-Fluoro-5-nitrophenyl isocyanate is C7H3FN2O3.
What is the molecular weight of 2-Fluoro-5-nitrophenyl isocyanate?
The molecular weight of 2-Fluoro-5-nitrophenyl isocyanate is 182.01 g/mol.
Where can I buy 2-Fluoro-5-nitrophenyl isocyanate?
You can request a quote for 2-Fluoro-5-nitrophenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-5-nitrophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-5-nitrophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.