2-(4-Bromo-2-fluorophenyl)acetonitrile
TL;DR: 2-(4-Bromo-2-fluorophenyl)acetonitrile (CAS 114898-93-0) is a chemical compound with molecular formula C8H5BrFN and molecular weight 212.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2-fluorophenyl)acetonitrile
Also Known As: 4-Bromo-2-fluorobenzyl cyanide, 2-(4-bromo-2-fluorophenyl)acetonitrile, null, 4-BROMO-2-FLUOROPHENYLACETONITRILE, 4-Bromo-2-fluorobenzylcyanide
| Molecular Formula | C8H5BrFN |
|---|---|
| Molecular Weight | 212.96 g/mol |
| LogP | 2.65428 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.95894 |
| Heavy Atoms | 11 |
| Complexity | 303.45062 |
Chemical Identifiers
| CAS Number | 114898-93-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)F)CC#N |
Product Overview
2-(4-Bromo-2-fluorophenyl)acetonitrile (CAS 114898-93-0), with molecular formula C8H5BrFN and molecular weight 212.96 g/mol. IUPAC: 2-(4-bromo-2-fluorophenyl)acetonitrile.
Chemical Property Profile of 2-(4-Bromo-2-fluorophenyl)acetonitrile
Property Insights of 2-(4-Bromo-2-fluorophenyl)acetonitrile
The XLogP value of 2.65428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromo-2-fluorophenyl)acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(4-Bromo-2-fluorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-2-fluorophenyl)acetonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Bromo-2-fluorophenyl)acetonitrile?
The CAS number of 2-(4-Bromo-2-fluorophenyl)acetonitrile is 114898-93-0.
What is the molecular formula of 2-(4-Bromo-2-fluorophenyl)acetonitrile?
The molecular formula of 2-(4-Bromo-2-fluorophenyl)acetonitrile is C8H5BrFN.
What is the molecular weight of 2-(4-Bromo-2-fluorophenyl)acetonitrile?
The molecular weight of 2-(4-Bromo-2-fluorophenyl)acetonitrile is 212.96 g/mol.
Where can I buy 2-(4-Bromo-2-fluorophenyl)acetonitrile?
You can request a quote for 2-(4-Bromo-2-fluorophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromo-2-fluorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-2-fluorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.