4-Chloro-2-nitrophenyl isocyanate
TL;DR: 4-Chloro-2-nitrophenyl isocyanate (CAS 28162-63-2) is a chemical compound with molecular formula C7H3ClN2O3 and molecular weight 197.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-isocyanato-2-nitrobenzene
Also Known As: 4-Chloro-2-nitrophenyl isocyanate, 4-chloro-1-isocyanato-2-nitrobenzene, 4-Chloro-2-nitrophenylisocyanate, (4-chloro-2-nitrophenyl)isocyanate, 4-chloro-2-nitro-phenyl isocyanate
| Molecular Formula | C7H3ClN2O3 |
|---|---|
| Molecular Weight | 197.98 g/mol |
| LogP | 2.2155 |
| Topological Polar Surface Area | 72.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.98322 |
| Heavy Atoms | 13 |
| Complexity | 398.72418 |
Chemical Identifiers
| CAS Number | 28162-63-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])N=C=O |
Product Overview
4-Chloro-2-nitrophenyl isocyanate (CAS 28162-63-2), with molecular formula C7H3ClN2O3 and molecular weight 197.98 g/mol. IUPAC: 4-chloro-1-isocyanato-2-nitrobenzene.
Chemical Property Profile of 4-Chloro-2-nitrophenyl isocyanate
Property Insights of 4-Chloro-2-nitrophenyl isocyanate
The XLogP value of 2.2155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-nitrophenyl isocyanate. The TPSA of 72.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-nitrophenyl isocyanate. Following Lipinski's Rule of Five, 4-Chloro-2-nitrophenyl isocyanate has 0 hydrogen bond donor(s) and 4 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 4-Chloro-2-nitrophenyl isocyanate?
The CAS number of 4-Chloro-2-nitrophenyl isocyanate is 28162-63-2.
What is the molecular formula of 4-Chloro-2-nitrophenyl isocyanate?
The molecular formula of 4-Chloro-2-nitrophenyl isocyanate is C7H3ClN2O3.
What is the molecular weight of 4-Chloro-2-nitrophenyl isocyanate?
The molecular weight of 4-Chloro-2-nitrophenyl isocyanate is 197.98 g/mol.
Where can I buy 4-Chloro-2-nitrophenyl isocyanate?
You can request a quote for 4-Chloro-2-nitrophenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-nitrophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-nitrophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.