Hydroxy(pentachlorophenyl)acetonitrile
TL;DR: Hydroxy(pentachlorophenyl)acetonitrile (CAS 21727-09-3) is a chemical compound with molecular formula C8H2Cl5NO and molecular weight 302.8579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-(2,3,4,5,6-pentachlorophenyl)acetonitrile
Also Known As: Oryzon, PCMN, Pentachloromandelonitrile, Pentachlormandelsaurenitril, MANDELONITRILE, PENTACHLORO-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H2Cl5NO |
| Molecular Weight | 302.8579 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.85495 Da |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
| SMILES | C(#N)C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O |
| InChIKey | SMARLDCRQUMZJR-UHFFFAOYSA-N |
Chemical Property Profile of Hydroxy(pentachlorophenyl)acetonitrile
Property Insights of Hydroxy(pentachlorophenyl)acetonitrile
The XLogP value of 4.2 indicates that Hydroxy(pentachlorophenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, Hydroxy(pentachlorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxy(pentachlorophenyl)acetonitrile 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 Hydroxy(pentachlorophenyl)acetonitrile?
The CAS number of Hydroxy(pentachlorophenyl)acetonitrile is 21727-09-3.
What is the molecular formula of Hydroxy(pentachlorophenyl)acetonitrile?
The molecular formula of Hydroxy(pentachlorophenyl)acetonitrile is C8H2Cl5NO.
What is the molecular weight of Hydroxy(pentachlorophenyl)acetonitrile?
The molecular weight of Hydroxy(pentachlorophenyl)acetonitrile is 302.8579 g/mol.
Where can I buy Hydroxy(pentachlorophenyl)acetonitrile?
You can request a quote for Hydroxy(pentachlorophenyl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydroxy(pentachlorophenyl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for Hydroxy(pentachlorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.