3,5-Dibromo-2-fluorophenylacetonitrile
TL;DR: 3,5-Dibromo-2-fluorophenylacetonitrile (CAS 497181-29-0) is a chemical compound with molecular formula C8H4Br2FN and molecular weight 290.86945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,5-dibromo-2-fluorophenyl)acetonitrile
Also Known As: 3,5-Dibromo-2-fluorophenylacetonitrile, 2-(3,5-dibromo-2-fluorophenyl)acetonitrile, 3,5-Dibromo-2-fluorobenzeneacetonitrile, Benzeneacetonitrile, 3,5-dibromo-2-fluoro-, (3,5-Dibromo-2-fluorophenyl)acetonitrile
Technical Specifications
| Molecular Formula | C8H4Br2FN |
| Molecular Weight | 290.86945 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.86945 Da |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
| SMILES | C1=C(C=C(C(=C1CC#N)F)Br)Br |
| InChIKey | JLFRNIRVPQQIBS-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dibromo-2-fluorophenylacetonitrile
Property Insights of 3,5-Dibromo-2-fluorophenylacetonitrile
The XLogP value of 3.1 indicates that 3,5-Dibromo-2-fluorophenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3,5-Dibromo-2-fluorophenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-2-fluorophenylacetonitrile 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 3,5-Dibromo-2-fluorophenylacetonitrile?
The CAS number of 3,5-Dibromo-2-fluorophenylacetonitrile is 497181-29-0.
What is the molecular formula of 3,5-Dibromo-2-fluorophenylacetonitrile?
The molecular formula of 3,5-Dibromo-2-fluorophenylacetonitrile is C8H4Br2FN.
What is the molecular weight of 3,5-Dibromo-2-fluorophenylacetonitrile?
The molecular weight of 3,5-Dibromo-2-fluorophenylacetonitrile is 290.86945 g/mol.
Where can I buy 3,5-Dibromo-2-fluorophenylacetonitrile?
You can request a quote for 3,5-Dibromo-2-fluorophenylacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dibromo-2-fluorophenylacetonitrile?
Yes, CoreyChem provides custom synthesis services for 3,5-Dibromo-2-fluorophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.