4-Bromo-5-fluoro-2-nitrotoluene
TL;DR: 4-Bromo-5-fluoro-2-nitrotoluene (CAS 224185-19-7) 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.
1-bromo-2-fluoro-4-methyl-5-nitrobenzene
Also Known As: 4-Bromo-5-fluoro-2-nitrotoluene, 1-bromo-2-fluoro-4-methyl-5-nitrobenzene, zlchem 1176, 1-bromo-2-fluoro-4-methyl-5-nitro-benzene, 2-Nitro-4-Bromo-5-Fluorotoluene
| Molecular Formula | C7H5BrFNO2 |
|---|---|
| Molecular Weight | 232.95 g/mol |
| LogP | 2.80482 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.94878 |
| Heavy Atoms | 12 |
| Complexity | 340.4234 |
Chemical Identifiers
| CAS Number | 224185-19-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])Br)F |
Product Overview
4-Bromo-5-fluoro-2-nitrotoluene (CAS 224185-19-7), with molecular formula C7H5BrFNO2 and molecular weight 232.95 g/mol. IUPAC: 1-bromo-2-fluoro-4-methyl-5-nitrobenzene.
Chemical Property Profile of 4-Bromo-5-fluoro-2-nitrotoluene
Property Insights of 4-Bromo-5-fluoro-2-nitrotoluene
The XLogP value of 2.80482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-5-fluoro-2-nitrotoluene. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Bromo-5-fluoro-2-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-5-fluoro-2-nitrotoluene 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 4-Bromo-5-fluoro-2-nitrotoluene?
The CAS number of 4-Bromo-5-fluoro-2-nitrotoluene is 224185-19-7.
What is the molecular formula of 4-Bromo-5-fluoro-2-nitrotoluene?
The molecular formula of 4-Bromo-5-fluoro-2-nitrotoluene is C7H5BrFNO2.
What is the molecular weight of 4-Bromo-5-fluoro-2-nitrotoluene?
The molecular weight of 4-Bromo-5-fluoro-2-nitrotoluene is 232.95 g/mol.
Where can I buy 4-Bromo-5-fluoro-2-nitrotoluene?
You can request a quote for 4-Bromo-5-fluoro-2-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-5-fluoro-2-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-fluoro-2-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.