3-(2-Bromoacetyl)benzonitrile
TL;DR: 3-(2-Bromoacetyl)benzonitrile (CAS 1073372-04-9) is a chemical compound with molecular formula C9H6BrNO and molecular weight 222.96329 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-bromoacetyl)benzonitrile
Also Known As: 3-(2-Bromoacetyl)benzonitrile, 3-Cyanophenacyl bromide, 2-Bromo-3'-cyanoacetophenone, 3- benzonitrile, 3-CYANOPHENACYLBROMIDE
Technical Specifications
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 222.96329 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.96329 Da |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
| SMILES | C1=CC(=CC(=C1)C(=O)CBr)C#N |
| InChIKey | XWCGNFLHRINYCE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Bromoacetyl)benzonitrile
Property Insights of 3-(2-Bromoacetyl)benzonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Bromoacetyl)benzonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 3-(2-Bromoacetyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Bromoacetyl)benzonitrile 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 3-(2-Bromoacetyl)benzonitrile?
The CAS number of 3-(2-Bromoacetyl)benzonitrile is 1073372-04-9.
What is the molecular formula of 3-(2-Bromoacetyl)benzonitrile?
The molecular formula of 3-(2-Bromoacetyl)benzonitrile is C9H6BrNO.
What is the molecular weight of 3-(2-Bromoacetyl)benzonitrile?
The molecular weight of 3-(2-Bromoacetyl)benzonitrile is 222.96329 g/mol.
Where can I buy 3-(2-Bromoacetyl)benzonitrile?
You can request a quote for 3-(2-Bromoacetyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Bromoacetyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(2-Bromoacetyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.