2-Bromo-3,4-difluoro-1-nitrobenzene
TL;DR: 2-Bromo-3,4-difluoro-1-nitrobenzene (CAS 35271-40-0) is a chemical compound with molecular formula C6H2BrF2NO2 and molecular weight 236.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,2-difluoro-4-nitrobenzene
Also Known As: 2-Bromo-3,4-difluoro-1-nitrobenzene, 2-Bromo-3,4-difluoronitrobenzene, 3-bromo-1,2-difluoro-4-nitrobenzene, 2-Bromo-3, 4-difluoro-nitrobenzene, 2-Bromo-3,4-difluoro nitrobenzene
| Molecular Formula | C6H2BrF2NO2 |
|---|---|
| Molecular Weight | 236.92 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.9237 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 35271-40-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])Br)F)F |
| InChIKey | OANBJAYTIQWYDQ-UHFFFAOYSA-N |
Product Overview
2-Bromo-3,4-difluoro-1-nitrobenzene (CAS 35271-40-0), with molecular formula C6H2BrF2NO2 and molecular weight 236.92 g/mol. IUPAC: 3-bromo-1,2-difluoro-4-nitrobenzene.
Chemical Property Profile of 2-Bromo-3,4-difluoro-1-nitrobenzene
Property Insights of 2-Bromo-3,4-difluoro-1-nitrobenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3,4-difluoro-1-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Bromo-3,4-difluoro-1-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3,4-difluoro-1-nitrobenzene has 0 hydrogen bond donor(s) and 4 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-Bromo-3,4-difluoro-1-nitrobenzene?
The CAS number of 2-Bromo-3,4-difluoro-1-nitrobenzene is 35271-40-0.
What is the molecular formula of 2-Bromo-3,4-difluoro-1-nitrobenzene?
The molecular formula of 2-Bromo-3,4-difluoro-1-nitrobenzene is C6H2BrF2NO2.
What is the molecular weight of 2-Bromo-3,4-difluoro-1-nitrobenzene?
The molecular weight of 2-Bromo-3,4-difluoro-1-nitrobenzene is 236.92 g/mol.
Where can I buy 2-Bromo-3,4-difluoro-1-nitrobenzene?
You can request a quote for 2-Bromo-3,4-difluoro-1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3,4-difluoro-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3,4-difluoro-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.