2-Chloro-6-phenoxybenzonitrile
TL;DR: 2-Chloro-6-phenoxybenzonitrile (CAS 91692-70-5) is a chemical compound with molecular formula C13H8ClNO and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-phenoxybenzonitrile
Also Known As: 2-chloro-6-phenoxybenzonitrile, Maybridge1_002712, DivK1c_001464, 2-Phenoxy-6-chlorobenzonitrile, 2-chloro-6-phenoxy-benzonitrile
| Molecular Formula | C13H8ClNO |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 4.00398 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.02943 |
| Heavy Atoms | 16 |
| Complexity | 531.374 |
Chemical Identifiers
| CAS Number | 91692-70-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)C#N |
Product Overview
2-Chloro-6-phenoxybenzonitrile (CAS 91692-70-5), with molecular formula C13H8ClNO and molecular weight 229.03 g/mol. IUPAC: 2-chloro-6-phenoxybenzonitrile.
Chemical Property Profile of 2-Chloro-6-phenoxybenzonitrile
Property Insights of 2-Chloro-6-phenoxybenzonitrile
The XLogP value of 4.00398 indicates that 2-Chloro-6-phenoxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 2-Chloro-6-phenoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-phenoxybenzonitrile 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-phenoxybenzonitrile?
The CAS number of 2-Chloro-6-phenoxybenzonitrile is 91692-70-5.
What is the molecular formula of 2-Chloro-6-phenoxybenzonitrile?
The molecular formula of 2-Chloro-6-phenoxybenzonitrile is C13H8ClNO.
What is the molecular weight of 2-Chloro-6-phenoxybenzonitrile?
The molecular weight of 2-Chloro-6-phenoxybenzonitrile is 229.03 g/mol.
Where can I buy 2-Chloro-6-phenoxybenzonitrile?
You can request a quote for 2-Chloro-6-phenoxybenzonitrile 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-phenoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-phenoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.