2-(4-Chloro-2-formylphenoxy)acetonitrile
TL;DR: 2-(4-Chloro-2-formylphenoxy)acetonitrile (CAS 125418-96-4) is a chemical compound with molecular formula C9H6ClNO2 and molecular weight 195.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-2-formylphenoxy)acetonitrile
Also Known As: 2-(4-chloro-2-formylphenoxy)acetonitrile, (4-CHLORO-2-FORMYLPHENOXY)ACETONITRILE, (4-chloro-2-formyl-phenoxy)-acetonitrile, Acetonitrile, 2-(4-chloro-2-formylphenoxy)-, 2-(4-chloro-2-formyl-phenoxy)acetonitrile
Technical Specifications
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.00871 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.00871 Da |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
| SMILES | C1=CC(=C(C=C1Cl)C=O)OCC#N |
| InChIKey | PWSUNQQOAPKBKK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Chloro-2-formylphenoxy)acetonitrile
Property Insights of 2-(4-Chloro-2-formylphenoxy)acetonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloro-2-formylphenoxy)acetonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 2-(4-Chloro-2-formylphenoxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-2-formylphenoxy)acetonitrile 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-(4-Chloro-2-formylphenoxy)acetonitrile?
The CAS number of 2-(4-Chloro-2-formylphenoxy)acetonitrile is 125418-96-4.
What is the molecular formula of 2-(4-Chloro-2-formylphenoxy)acetonitrile?
The molecular formula of 2-(4-Chloro-2-formylphenoxy)acetonitrile is C9H6ClNO2.
What is the molecular weight of 2-(4-Chloro-2-formylphenoxy)acetonitrile?
The molecular weight of 2-(4-Chloro-2-formylphenoxy)acetonitrile is 195.00871 g/mol.
Where can I buy 2-(4-Chloro-2-formylphenoxy)acetonitrile?
You can request a quote for 2-(4-Chloro-2-formylphenoxy)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Chloro-2-formylphenoxy)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Chloro-2-formylphenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.