Benzonitrile, o-(chloroacetyl)-
TL;DR: Benzonitrile, o-(chloroacetyl)- (CAS 1008-15-7) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.0138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloroacetyl)benzonitrile
Also Known As: 2-(2-chloroacetyl)benzonitrile, USAF uctl-668, 2-(chloroacetyl)benzonitrile, alpha-Chloro-o-cyanoacetophenone, o-(Chloroacetyl)benzonitrile
Technical Specifications
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.0138 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.0138 Da |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
| SMILES | C1=CC=C(C(=C1)C#N)C(=O)CCl |
| InChIKey | QLWBWNBFUCQEJM-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, o-(chloroacetyl)-
Property Insights of Benzonitrile, o-(chloroacetyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, o-(chloroacetyl)-. With a topological polar surface area (TPSA) of 40.9 Ų, Benzonitrile, o-(chloroacetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, o-(chloroacetyl)- has 0 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 Benzonitrile, o-(chloroacetyl)-?
The CAS number of Benzonitrile, o-(chloroacetyl)- is 1008-15-7.
What is the molecular formula of Benzonitrile, o-(chloroacetyl)-?
The molecular formula of Benzonitrile, o-(chloroacetyl)- is C9H6ClNO.
What is the molecular weight of Benzonitrile, o-(chloroacetyl)-?
The molecular weight of Benzonitrile, o-(chloroacetyl)- is 179.0138 g/mol.
Where can I buy Benzonitrile, o-(chloroacetyl)-?
You can request a quote for Benzonitrile, o-(chloroacetyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, o-(chloroacetyl)-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, o-(chloroacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.