2-Chloro-5-nitroanisole
TL;DR: 2-Chloro-5-nitroanisole (CAS 1009-36-5) is a chemical compound with molecular formula C7H6ClNO3 and molecular weight 187.00362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-methoxy-4-nitrobenzene
Also Known As: 2-Chloro-5-nitroanisole, 1-chloro-2-methoxy-4-nitrobenzene, 2-Methoxy-4-nitrochlorobenzene, Benzene, 1-chloro-2-methoxy-4-nitro-, 4-Chloro-3-methoxynitrobenzene
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClNO3 |
| Molecular Weight | 187.00362 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.00362 Da |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| InChIKey | JXIJUAWSDBACEB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-5-nitroanisole
Property Insights of 2-Chloro-5-nitroanisole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Chloro-5-nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-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
What is the CAS number of 2-Chloro-5-nitroanisole?
The CAS number of 2-Chloro-5-nitroanisole is 1009-36-5.
What is the molecular formula of 2-Chloro-5-nitroanisole?
The molecular formula of 2-Chloro-5-nitroanisole is C7H6ClNO3.
What is the molecular weight of 2-Chloro-5-nitroanisole?
The molecular weight of 2-Chloro-5-nitroanisole is 187.00362 g/mol.
Where can I buy 2-Chloro-5-nitroanisole?
You can request a quote for 2-Chloro-5-nitroanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-5-nitroanisole?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-5-nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.