2-(4-Chlorophenyl)-2-hydroxyacetonitrile
TL;DR: 2-(4-Chlorophenyl)-2-hydroxyacetonitrile (CAS 1446424-54-9) is a chemical compound with molecular formula C8H6ClNO and molecular weight 167.0138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-2-hydroxyacetonitrile
Also Known As: p-chloromandelonitrile, 4-Chlorophenylhydroxyacetonitrile, (R)-(+)-4-Chloromandelonitrile, Hydroxy 4-chlorophenylacetonitrile, 2-(4-chlorophenyl)-2-hydroxyacetonitrile
Technical Specifications
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.0138 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0138 Da |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
| SMILES | C1=CC(=CC=C1C(C#N)O)Cl |
| InChIKey | LSDSHEPNJSMUTI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Chlorophenyl)-2-hydroxyacetonitrile
Property Insights of 2-(4-Chlorophenyl)-2-hydroxyacetonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)-2-hydroxyacetonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-(4-Chlorophenyl)-2-hydroxyacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-hydroxyacetonitrile has 1 hydrogen bond donor(s) and 2 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-Chlorophenyl)-2-hydroxyacetonitrile?
The CAS number of 2-(4-Chlorophenyl)-2-hydroxyacetonitrile is 1446424-54-9.
What is the molecular formula of 2-(4-Chlorophenyl)-2-hydroxyacetonitrile?
The molecular formula of 2-(4-Chlorophenyl)-2-hydroxyacetonitrile is C8H6ClNO.
What is the molecular weight of 2-(4-Chlorophenyl)-2-hydroxyacetonitrile?
The molecular weight of 2-(4-Chlorophenyl)-2-hydroxyacetonitrile is 167.0138 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-hydroxyacetonitrile?
You can request a quote for 2-(4-Chlorophenyl)-2-hydroxyacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Chlorophenyl)-2-hydroxyacetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Chlorophenyl)-2-hydroxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.