![3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile structure](/static/products/1365/136562-69-1.webp)
3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile
TL;DR: 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile (CAS 136562-69-1) is a chemical compound with molecular formula C15H10ClNO2 and molecular weight 271.04 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-chlorophenoxy)phenyl]-3-oxopropanenitrile
Also Known As: 3-[2-(4-chlorophenoxy)phenyl]-3-oxopropanenitrile, 2-beta-oxo-benzenepropanenitrile, 2-(4-CHLOROPHENOXY)-BETA-OXO-BENZENEPROPANENITRILE, 2- -BETA-OXO-BENZENEPROPANENITRILE, 3-[2-(4-chlorophenoxy)phenyl]-3-oxo-propanenitrile
Technical Specifications
| Molecular Formula | C15H10ClNO2 |
| Molecular Weight | 271.04 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.04 Da |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)CC#N)OC2=CC=C(C=C2)Cl |
| InChIKey | SUJSAQNUINGBKS-UHFFFAOYSA-N |
Chemical Property Profile of 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile
Property Insights of 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile
The XLogP value of 3.7 indicates that 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile 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 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile?
The CAS number of 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile is 136562-69-1.
What is the molecular formula of 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile?
The molecular formula of 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile is C15H10ClNO2.
What is the molecular weight of 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile?
The molecular weight of 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile is 271.04 g/mol.
Where can I buy 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile?
You can request a quote for 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.