4-Bromo-2-fluorobenzonitrile
TL;DR: 4-Bromo-2-fluorobenzonitrile (CAS 105942-09-4) is a chemical compound with molecular formula C7H3BrFN and molecular weight 198.94328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-2-fluorobenzonitrile
Also Known As: 4-Bromo-2-fluorobenzonitrile, 2-fluoro-4-bromobenzonitrile, null, 4-Bromo-2-fluoro-benzonitrile, 2-floro-4-bromobenzonitrile
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H3BrFN |
| Molecular Weight | 198.94328 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.94328 Da |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
| SMILES | C1=CC(=C(C=C1Br)F)C#N |
| InChIKey | HGXWRDPQFZKOLZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-2-fluorobenzonitrile
Property Insights of 4-Bromo-2-fluorobenzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-fluorobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Bromo-2-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-fluorobenzonitrile 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 4-Bromo-2-fluorobenzonitrile?
The CAS number of 4-Bromo-2-fluorobenzonitrile is 105942-09-4.
What is the molecular formula of 4-Bromo-2-fluorobenzonitrile?
The molecular formula of 4-Bromo-2-fluorobenzonitrile is C7H3BrFN.
What is the molecular weight of 4-Bromo-2-fluorobenzonitrile?
The molecular weight of 4-Bromo-2-fluorobenzonitrile is 198.94328 g/mol.
Where can I buy 4-Bromo-2-fluorobenzonitrile?
You can request a quote for 4-Bromo-2-fluorobenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-2-fluorobenzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-2-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.