2-Chloro-6-methoxybenzonitrile
TL;DR: 2-Chloro-6-methoxybenzonitrile (CAS 6575-10-6) is a chemical compound with molecular formula C8H6ClNO and molecular weight 167.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-methoxybenzonitrile
Also Known As: 2-Chloro-6-methoxybenzonitrile, 4-Bromo-4-methylphenol, 6-Chloro-o-anisonitrile, Benzonitrile, 2-chloro-6-methoxy-, 2-methoxy-6-chlorobenzonitrile
| Molecular Formula | C8H6ClNO |
|---|---|
| Molecular Weight | 167.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0138 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 6575-10-6 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)Cl)C#N |
| InChIKey | YRGCKBHUZNQXEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-6-methoxybenzonitrile (CAS 6575-10-6), with molecular formula C8H6ClNO and molecular weight 167.01 g/mol. IUPAC: 2-chloro-6-methoxybenzonitrile.
Chemical Property Profile of 2-Chloro-6-methoxybenzonitrile
Property Insights of 2-Chloro-6-methoxybenzonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-methoxybenzonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-Chloro-6-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-methoxybenzonitrile has 0 hydrogen bond donor(s) and 2 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-methoxybenzonitrile?
The CAS number of 2-Chloro-6-methoxybenzonitrile is 6575-10-6.
What is the molecular formula of 2-Chloro-6-methoxybenzonitrile?
The molecular formula of 2-Chloro-6-methoxybenzonitrile is C8H6ClNO.
What is the molecular weight of 2-Chloro-6-methoxybenzonitrile?
The molecular weight of 2-Chloro-6-methoxybenzonitrile is 167.01 g/mol.
Where can I buy 2-Chloro-6-methoxybenzonitrile?
You can request a quote for 2-Chloro-6-methoxybenzonitrile 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-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.