2-(2-Chlorophenoxy)acetonitrile
TL;DR: 2-(2-Chlorophenoxy)acetonitrile (CAS 43111-31-5) 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-(2-chlorophenoxy)acetonitrile
Also Known As: 2-(2-Chlorophenoxy)acetonitrile, 2-Chlorophenoxyacetonitrile, null, (2-Chlorophenoxy)-acetonitrile, (o-Chlorophenoxy)acetonitrile
| Molecular Formula | C8H6ClNO |
|---|---|
| Molecular Weight | 167.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.0138 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 43111-31-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OCC#N)Cl |
| InChIKey | JWRJGSQLKHGQOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Chlorophenoxy)acetonitrile (CAS 43111-31-5), with molecular formula C8H6ClNO and molecular weight 167.01 g/mol. IUPAC: 2-(2-chlorophenoxy)acetonitrile.
Chemical Property Profile of 2-(2-Chlorophenoxy)acetonitrile
Property Insights of 2-(2-Chlorophenoxy)acetonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chlorophenoxy)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(2-Chlorophenoxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorophenoxy)acetonitrile 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-(2-Chlorophenoxy)acetonitrile?
The CAS number of 2-(2-Chlorophenoxy)acetonitrile is 43111-31-5.
What is the molecular formula of 2-(2-Chlorophenoxy)acetonitrile?
The molecular formula of 2-(2-Chlorophenoxy)acetonitrile is C8H6ClNO.
What is the molecular weight of 2-(2-Chlorophenoxy)acetonitrile?
The molecular weight of 2-(2-Chlorophenoxy)acetonitrile is 167.01 g/mol.
Where can I buy 2-(2-Chlorophenoxy)acetonitrile?
You can request a quote for 2-(2-Chlorophenoxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorophenoxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.