2-Chloro-4-nitrophenyl isocyanate
TL;DR: 2-Chloro-4-nitrophenyl isocyanate (CAS 40397-95-3) 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.
2-chloro-1-isocyanato-4-nitrobenzene
Also Known As: 2-Chloro-4-nitrophenyl isocyanate, Dibenzyldiselenide, 2-chloro-1-isocyanato-4-nitrobenzene, 2-chloro-4-nitrophenylisocyanate, 2-chloro-1-isocyanato-4-nitro-benzene
| 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 | 40397-95-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)N=C=O |
Product Overview
2-Chloro-4-nitrophenyl isocyanate (CAS 40397-95-3), with molecular formula C7H3ClN2O3 and molecular weight 197.98 g/mol. IUPAC: 2-chloro-1-isocyanato-4-nitrobenzene.
Chemical Property Profile of 2-Chloro-4-nitrophenyl isocyanate
Property Insights of 2-Chloro-4-nitrophenyl isocyanate
The XLogP value of 2.2155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-nitrophenyl isocyanate. The TPSA of 72.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-nitrophenyl isocyanate. Following Lipinski's Rule of Five, 2-Chloro-4-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 2-Chloro-4-nitrophenyl isocyanate?
The CAS number of 2-Chloro-4-nitrophenyl isocyanate is 40397-95-3.
What is the molecular formula of 2-Chloro-4-nitrophenyl isocyanate?
The molecular formula of 2-Chloro-4-nitrophenyl isocyanate is C7H3ClN2O3.
What is the molecular weight of 2-Chloro-4-nitrophenyl isocyanate?
The molecular weight of 2-Chloro-4-nitrophenyl isocyanate is 197.98 g/mol.
Where can I buy 2-Chloro-4-nitrophenyl isocyanate?
You can request a quote for 2-Chloro-4-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-Chloro-4-nitrophenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-nitrophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.