2-(2-Chlorophenyl)-2-hydroxyacetonitrile
TL;DR: 2-(2-Chlorophenyl)-2-hydroxyacetonitrile (CAS 13312-84-0) 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-chlorophenyl)-2-hydroxyacetonitrile
Also Known As: 2-(2-CHLOROPHENYL)-2-HYDROXYACETONITRILE, 2-chloromandelonitrile, o-chloromandelonitrile, Hydroxy 2-chlorophenylacetonitrile, (2-Chlorophenyl)hydroxyacetonitrile
| Molecular Formula | C8H6ClNO |
|---|---|
| Molecular Weight | 167.01 g/mol |
| LogP | 1.89698 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0138 |
| Heavy Atoms | 11 |
| Complexity | 292.38867 |
Chemical Identifiers
| CAS Number | 13312-84-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C#N)O)Cl |
Product Overview
2-(2-Chlorophenyl)-2-hydroxyacetonitrile (CAS 13312-84-0), with molecular formula C8H6ClNO and molecular weight 167.01 g/mol. IUPAC: 2-(2-chlorophenyl)-2-hydroxyacetonitrile.
Chemical Property Profile of 2-(2-Chlorophenyl)-2-hydroxyacetonitrile
Property Insights of 2-(2-Chlorophenyl)-2-hydroxyacetonitrile
The XLogP value of 1.89698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chlorophenyl)-2-hydroxyacetonitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 2-(2-Chlorophenyl)-2-hydroxyacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-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
Frequently Asked Questions
What is the CAS number of 2-(2-Chlorophenyl)-2-hydroxyacetonitrile?
The CAS number of 2-(2-Chlorophenyl)-2-hydroxyacetonitrile is 13312-84-0.
What is the molecular formula of 2-(2-Chlorophenyl)-2-hydroxyacetonitrile?
The molecular formula of 2-(2-Chlorophenyl)-2-hydroxyacetonitrile is C8H6ClNO.
What is the molecular weight of 2-(2-Chlorophenyl)-2-hydroxyacetonitrile?
The molecular weight of 2-(2-Chlorophenyl)-2-hydroxyacetonitrile is 167.01 g/mol.
Where can I buy 2-(2-Chlorophenyl)-2-hydroxyacetonitrile?
You can request a quote for 2-(2-Chlorophenyl)-2-hydroxyacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorophenyl)-2-hydroxyacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenyl)-2-hydroxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.