3-Bromo-5-fluorobenzonitrile
TL;DR: 3-Bromo-5-fluorobenzonitrile (CAS 198477-89-3) is a chemical compound with molecular formula C7H3BrFN and molecular weight 198.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-fluorobenzonitrile
Also Known As: 3-bromo-5-fluorobenzonitrile, null, Benzonitrile, 3-bromo-5-fluoro-, 3-fluoro-5-bromobenzonitrile, 3-Bromo-5-fluorobenzonitrole
| Molecular Formula | C7H3BrFN |
|---|---|
| Molecular Weight | 198.94 g/mol |
| LogP | 2.45988 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.94328 |
| Heavy Atoms | 10 |
| Complexity | 269.89786 |
Chemical Identifiers
| CAS Number | 198477-89-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1F)Br)C#N |
Product Overview
3-Bromo-5-fluorobenzonitrile (CAS 198477-89-3), with molecular formula C7H3BrFN and molecular weight 198.94 g/mol. IUPAC: 3-bromo-5-fluorobenzonitrile.
Chemical Property Profile of 3-Bromo-5-fluorobenzonitrile
Property Insights of 3-Bromo-5-fluorobenzonitrile
The XLogP value of 2.45988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-fluorobenzonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Bromo-5-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-fluorobenzonitrile 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 3-Bromo-5-fluorobenzonitrile?
The CAS number of 3-Bromo-5-fluorobenzonitrile is 198477-89-3.
What is the molecular formula of 3-Bromo-5-fluorobenzonitrile?
The molecular formula of 3-Bromo-5-fluorobenzonitrile is C7H3BrFN.
What is the molecular weight of 3-Bromo-5-fluorobenzonitrile?
The molecular weight of 3-Bromo-5-fluorobenzonitrile is 198.94 g/mol.
Where can I buy 3-Bromo-5-fluorobenzonitrile?
You can request a quote for 3-Bromo-5-fluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-fluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.