![1-[Bromo(difluoro)methyl]-4-nitrobenzene structure](/static/products/1144/114467-74-2.webp)
1-[Bromo(difluoro)methyl]-4-nitrobenzene
TL;DR: 1-[Bromo(difluoro)methyl]-4-nitrobenzene (CAS 114467-74-2) is a chemical compound with molecular formula C7H4BrF2NO2 and molecular weight 250.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bromo(difluoro)methyl]-4-nitrobenzene
Also Known As: 1-[bromo(difluoro)methyl]-4-nitrobenzene, 1-(Bromodifluoromethyl)-4-nitrobenzene, benzene, 1-(bromodifluoromethyl)-4-nitro-, InChI=1/C7H4BrF2NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4
| Molecular Formula | C7H4BrF2NO2 |
|---|---|
| Molecular Weight | 250.94 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.93935 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 114467-74-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)Br)[N+](=O)[O-] |
| InChIKey | ZOMHZTFFLIJAME-UHFFFAOYSA-N |
Product Overview
1-[Bromo(difluoro)methyl]-4-nitrobenzene (CAS 114467-74-2), with molecular formula C7H4BrF2NO2 and molecular weight 250.94 g/mol. IUPAC: 1-[bromo(difluoro)methyl]-4-nitrobenzene.
Chemical Property Profile of 1-[Bromo(difluoro)methyl]-4-nitrobenzene
Property Insights of 1-[Bromo(difluoro)methyl]-4-nitrobenzene
The XLogP value of 3.0 indicates that 1-[Bromo(difluoro)methyl]-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-[Bromo(difluoro)methyl]-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[Bromo(difluoro)methyl]-4-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 1-[Bromo(difluoro)methyl]-4-nitrobenzene?
The CAS number of 1-[Bromo(difluoro)methyl]-4-nitrobenzene is 114467-74-2.
What is the molecular formula of 1-[Bromo(difluoro)methyl]-4-nitrobenzene?
The molecular formula of 1-[Bromo(difluoro)methyl]-4-nitrobenzene is C7H4BrF2NO2.
What is the molecular weight of 1-[Bromo(difluoro)methyl]-4-nitrobenzene?
The molecular weight of 1-[Bromo(difluoro)methyl]-4-nitrobenzene is 250.94 g/mol.
Where can I buy 1-[Bromo(difluoro)methyl]-4-nitrobenzene?
You can request a quote for 1-[Bromo(difluoro)methyl]-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[Bromo(difluoro)methyl]-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[Bromo(difluoro)methyl]-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.