3-Fluoro-4-nitrobenzyl bromide
TL;DR: 3-Fluoro-4-nitrobenzyl bromide (CAS 131858-37-2) is a chemical compound with molecular formula C7H5BrFNO2 and molecular weight 232.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-2-fluoro-1-nitrobenzene
Also Known As: 3-Fluoro-4-nitrobenzyl bromide, 4-(bromomethyl)-2-fluoro-1-nitrobenzene, Ergocornine, Intermediates-ZCF02012, Benzene, 4-(bromomethyl)-2-fluoro-1-nitro-
| Molecular Formula | C7H5BrFNO2 |
|---|---|
| Molecular Weight | 232.95 g/mol |
| LogP | 2.6288 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.94878 |
| Heavy Atoms | 12 |
| Complexity | 316.27472 |
Chemical Identifiers
| CAS Number | 131858-37-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1CBr)F)[N+](=O)[O-] |
Product Overview
3-Fluoro-4-nitrobenzyl bromide (CAS 131858-37-2), with molecular formula C7H5BrFNO2 and molecular weight 232.95 g/mol. IUPAC: 4-(bromomethyl)-2-fluoro-1-nitrobenzene.
Chemical Property Profile of 3-Fluoro-4-nitrobenzyl bromide
Property Insights of 3-Fluoro-4-nitrobenzyl bromide
The XLogP value of 2.6288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-nitrobenzyl bromide. With a topological polar surface area (TPSA) of 43.14 Ų, 3-Fluoro-4-nitrobenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-nitrobenzyl bromide 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
Frequently Asked Questions
What is the CAS number of 3-Fluoro-4-nitrobenzyl bromide?
The CAS number of 3-Fluoro-4-nitrobenzyl bromide is 131858-37-2.
What is the molecular formula of 3-Fluoro-4-nitrobenzyl bromide?
The molecular formula of 3-Fluoro-4-nitrobenzyl bromide is C7H5BrFNO2.
What is the molecular weight of 3-Fluoro-4-nitrobenzyl bromide?
The molecular weight of 3-Fluoro-4-nitrobenzyl bromide is 232.95 g/mol.
Where can I buy 3-Fluoro-4-nitrobenzyl bromide?
You can request a quote for 3-Fluoro-4-nitrobenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-nitrobenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-nitrobenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.