4-(Bromomethyl)-3-fluorobenzonitrile
TL;DR: 4-(Bromomethyl)-3-fluorobenzonitrile (CAS 105942-17-4) is a chemical compound with molecular formula C8H5BrFN and molecular weight 212.95894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(bromomethyl)-3-fluorobenzonitrile
Also Known As: 4-(Bromomethyl)-3-fluorobenzonitrile, 4-Cyano-2-fluorobenzyl Bromide, 2-fluoro-4-cyanobenzyl bromide, 4-bromomethyl-3-fluorobenzonitrile, 2-fluoro-4-cyanbenzyl bromide
Technical Specifications
| Molecular Formula | C8H5BrFN |
| Molecular Weight | 212.95894 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.95894 Da |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
| SMILES | C1=CC(=C(C=C1C#N)F)CBr |
| InChIKey | ZESZAIOGACKOMB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Bromomethyl)-3-fluorobenzonitrile
Property Insights of 4-(Bromomethyl)-3-fluorobenzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromomethyl)-3-fluorobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-(Bromomethyl)-3-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)-3-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-(Bromomethyl)-3-fluorobenzonitrile?
The CAS number of 4-(Bromomethyl)-3-fluorobenzonitrile is 105942-17-4.
What is the molecular formula of 4-(Bromomethyl)-3-fluorobenzonitrile?
The molecular formula of 4-(Bromomethyl)-3-fluorobenzonitrile is C8H5BrFN.
What is the molecular weight of 4-(Bromomethyl)-3-fluorobenzonitrile?
The molecular weight of 4-(Bromomethyl)-3-fluorobenzonitrile is 212.95894 g/mol.
Where can I buy 4-(Bromomethyl)-3-fluorobenzonitrile?
You can request a quote for 4-(Bromomethyl)-3-fluorobenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Bromomethyl)-3-fluorobenzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Bromomethyl)-3-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.