alpha-Bromo-o-fluorotoluene
TL;DR: alpha-Bromo-o-fluorotoluene (CAS 446-48-0) is a chemical compound with molecular formula C7H6BrF and molecular weight 187.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-2-fluorobenzene
Also Known As: 2-Fluorobenzyl bromide, 1-(Bromomethyl)-2-fluorobenzene, o-Fluorobenzyl bromide, 2-fluorobenzylbromide, alpha-Bromo-o-fluorotoluene
| Molecular Formula | C7H6BrF |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.96368 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 446-48-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CBr)F |
| InChIKey | FFWQLZFIMNTUCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Bromo-o-fluorotoluene (CAS 446-48-0), with molecular formula C7H6BrF and molecular weight 187.96 g/mol. IUPAC: 1-(bromomethyl)-2-fluorobenzene.
Chemical Property Profile of alpha-Bromo-o-fluorotoluene
Property Insights of alpha-Bromo-o-fluorotoluene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Bromo-o-fluorotoluene. With a topological polar surface area (TPSA) of 0.0 Ų, alpha-Bromo-o-fluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Bromo-o-fluorotoluene 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 alpha-Bromo-o-fluorotoluene?
The CAS number of alpha-Bromo-o-fluorotoluene is 446-48-0.
What is the molecular formula of alpha-Bromo-o-fluorotoluene?
The molecular formula of alpha-Bromo-o-fluorotoluene is C7H6BrF.
What is the molecular weight of alpha-Bromo-o-fluorotoluene?
The molecular weight of alpha-Bromo-o-fluorotoluene is 187.96 g/mol.
Where can I buy alpha-Bromo-o-fluorotoluene?
You can request a quote for alpha-Bromo-o-fluorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Bromo-o-fluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for alpha-Bromo-o-fluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.