2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene
TL;DR: 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene (CAS 26863-63-8) is a chemical compound with molecular formula C13H7ClN2O3 and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(2-isocyanatophenyl)-4-nitrobenzene
Also Known As: 2-chloro-2'-isocyanato-4-nitrobiphenyl, 2-chloro-1-(2-isocyanatophenyl)-4-nitrobenzene, 2-Chloro-2'-isocyanato-4-nitro-1,1'-biphenyl, 1,1'-Biphenyl,2-chloro-2'-isocyanato-4-nitro-
| Molecular Formula | C13H7ClN2O3 |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.01453 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 26863-63-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N=C=O |
| InChIKey | KPUHENJIMBILJN-UHFFFAOYSA-N |
Product Overview
2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene (CAS 26863-63-8), with molecular formula C13H7ClN2O3 and molecular weight 274.01 g/mol. IUPAC: 2-chloro-1-(2-isocyanatophenyl)-4-nitrobenzene.
Chemical Property Profile of 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene
Property Insights of 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene
The XLogP value of 5.1 indicates that 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene. Following Lipinski's Rule of Five, 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene?
The CAS number of 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene is 26863-63-8.
What is the molecular formula of 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene?
The molecular formula of 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene is C13H7ClN2O3.
What is the molecular weight of 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene?
The molecular weight of 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene is 274.01 g/mol.
Where can I buy 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene?
You can request a quote for 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2-isocyanatophenyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.