2-Chloro-6-nitroaniline
TL;DR: 2-Chloro-6-nitroaniline (CAS 769-11-9) is a chemical compound with molecular formula C6H5ClN2O2 and molecular weight 172.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-nitroaniline
Also Known As: 2-Chloro-6-nitroaniline, 6-Chloro-2-nitroaniline, 2-Chloro-6-nitro-phenylamine, 2-Chloro-6-nitro aniline, Benzenamine, 2-chloro-6-nitro-
| Molecular Formula | C6H5ClN2O2 |
|---|---|
| Molecular Weight | 172.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.00395 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 769-11-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-] |
| InChIKey | VOTXWUCYIOPNNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-6-nitroaniline (CAS 769-11-9), with molecular formula C6H5ClN2O2 and molecular weight 172.00 g/mol. IUPAC: 2-chloro-6-nitroaniline.
Chemical Property Profile of 2-Chloro-6-nitroaniline
Property Insights of 2-Chloro-6-nitroaniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-nitroaniline. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-6-nitroaniline. Following Lipinski's Rule of Five, 2-Chloro-6-nitroaniline has 1 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 2-Chloro-6-nitroaniline?
The CAS number of 2-Chloro-6-nitroaniline is 769-11-9.
What is the molecular formula of 2-Chloro-6-nitroaniline?
The molecular formula of 2-Chloro-6-nitroaniline is C6H5ClN2O2.
What is the molecular weight of 2-Chloro-6-nitroaniline?
The molecular weight of 2-Chloro-6-nitroaniline is 172.00 g/mol.
Where can I buy 2-Chloro-6-nitroaniline?
You can request a quote for 2-Chloro-6-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.