2-(Bromomethyl)-1-fluoro-3-nitrobenzene
TL;DR: 2-(Bromomethyl)-1-fluoro-3-nitrobenzene (CAS 1958-93-6) 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.
2-(bromomethyl)-1-fluoro-3-nitrobenzene
Also Known As: 2-Fluoro-6-nitrobenzyl bromide, 2-(Bromomethyl)-1-fluoro-3-nitrobenzene, Daphnoretin, Benzene, 2-(bromomethyl)-1-fluoro-3-nitro-, 2-Bromomethyl-1-fluoro-3-nitrobenzene
| Molecular Formula | C7H5BrFNO2 |
|---|---|
| Molecular Weight | 232.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.94878 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 1958-93-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)CBr)[N+](=O)[O-] |
| InChIKey | KKSODTKRSQTJFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Bromomethyl)-1-fluoro-3-nitrobenzene (CAS 1958-93-6), with molecular formula C7H5BrFNO2 and molecular weight 232.95 g/mol. IUPAC: 2-(bromomethyl)-1-fluoro-3-nitrobenzene.
Chemical Property Profile of 2-(Bromomethyl)-1-fluoro-3-nitrobenzene
Property Insights of 2-(Bromomethyl)-1-fluoro-3-nitrobenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bromomethyl)-1-fluoro-3-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 2-(Bromomethyl)-1-fluoro-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bromomethyl)-1-fluoro-3-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-(Bromomethyl)-1-fluoro-3-nitrobenzene?
The CAS number of 2-(Bromomethyl)-1-fluoro-3-nitrobenzene is 1958-93-6.
What is the molecular formula of 2-(Bromomethyl)-1-fluoro-3-nitrobenzene?
The molecular formula of 2-(Bromomethyl)-1-fluoro-3-nitrobenzene is C7H5BrFNO2.
What is the molecular weight of 2-(Bromomethyl)-1-fluoro-3-nitrobenzene?
The molecular weight of 2-(Bromomethyl)-1-fluoro-3-nitrobenzene is 232.95 g/mol.
Where can I buy 2-(Bromomethyl)-1-fluoro-3-nitrobenzene?
You can request a quote for 2-(Bromomethyl)-1-fluoro-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bromomethyl)-1-fluoro-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bromomethyl)-1-fluoro-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.