5-Chloro-2-nitroanisole
TL;DR: 5-Chloro-2-nitroanisole (CAS 6627-53-8) is a chemical compound with molecular formula C7H6ClNO3 and molecular weight 187.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methoxy-1-nitrobenzene
Also Known As: 5-Chloro-2-nitroanisole, 4-Chloro-2-methoxy-1-nitrobenzene, 2-Nitro-5-chloroanisole, 4-Chloro-2-methoxynitrobenzene, 2-Pyrimidinethiol
| Molecular Formula | C7H6ClNO3 |
|---|---|
| Molecular Weight | 187.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.00362 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 6627-53-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)Cl)[N+](=O)[O-] |
| InChIKey | ABEUJUYEUCCZQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-nitroanisole (CAS 6627-53-8), with molecular formula C7H6ClNO3 and molecular weight 187.00 g/mol. IUPAC: 4-chloro-2-methoxy-1-nitrobenzene.
Chemical Property Profile of 5-Chloro-2-nitroanisole
Property Insights of 5-Chloro-2-nitroanisole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 5-Chloro-2-nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-nitroanisole has 0 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 5-Chloro-2-nitroanisole?
The CAS number of 5-Chloro-2-nitroanisole is 6627-53-8.
What is the molecular formula of 5-Chloro-2-nitroanisole?
The molecular formula of 5-Chloro-2-nitroanisole is C7H6ClNO3.
What is the molecular weight of 5-Chloro-2-nitroanisole?
The molecular weight of 5-Chloro-2-nitroanisole is 187.00 g/mol.
Where can I buy 5-Chloro-2-nitroanisole?
You can request a quote for 5-Chloro-2-nitroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.