Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-
TL;DR: Benzene, 1-(bromomethyl)-2-fluoro-3-methyl- (CAS 452-74-4) is a chemical compound with molecular formula C8H8BrF and molecular weight 201.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-2-fluoro-3-methylbenzene
Also Known As: 2-Fluoro-3-methylbenzyl bromide, 1-(Bromomethyl)-2-fluoro-3-methylbenzene, 4-Bromo-3-fluorotoluene, Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-, 2-fluoro-3-methylbenzylbromide
| Molecular Formula | C8H8BrF |
|---|---|
| Molecular Weight | 201.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.97934 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 452-74-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CBr)F |
| InChIKey | DCGWFNZSJBIAKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(bromomethyl)-2-fluoro-3-methyl- (CAS 452-74-4), with molecular formula C8H8BrF and molecular weight 201.98 g/mol. IUPAC: 1-(bromomethyl)-2-fluoro-3-methylbenzene.
Chemical Property Profile of Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-
Property Insights of Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-(bromomethyl)-2-fluoro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(bromomethyl)-2-fluoro-3-methyl- 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 Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-?
The CAS number of Benzene, 1-(bromomethyl)-2-fluoro-3-methyl- is 452-74-4.
What is the molecular formula of Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-?
The molecular formula of Benzene, 1-(bromomethyl)-2-fluoro-3-methyl- is C8H8BrF.
What is the molecular weight of Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-?
The molecular weight of Benzene, 1-(bromomethyl)-2-fluoro-3-methyl- is 201.98 g/mol.
Where can I buy Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-?
You can request a quote for Benzene, 1-(bromomethyl)-2-fluoro-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(bromomethyl)-2-fluoro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(bromomethyl)-2-fluoro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.