1,3-Difluoro-2-methyl-5-nitrobenzene
TL;DR: 1,3-Difluoro-2-methyl-5-nitrobenzene (CAS 170572-48-2) is a chemical compound with molecular formula C7H5F2NO2 and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-difluoro-2-methyl-5-nitrobenzene
Also Known As: 1,3-difluoro-2-methyl-5-nitrobenzene, 2,6-Difluoro-4-nitrotoluene, 1,3-difluoro-2-methyl-5-nitro-benzene, 4CH-016620, J1.298.328J
| Molecular Formula | C7H5F2NO2 |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 2.18142 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.02884 |
| Heavy Atoms | 12 |
| Complexity | 315.1734 |
Chemical Identifiers
| CAS Number | 170572-48-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1F)[N+](=O)[O-])F |
Product Overview
1,3-Difluoro-2-methyl-5-nitrobenzene (CAS 170572-48-2), with molecular formula C7H5F2NO2 and molecular weight 173.03 g/mol. IUPAC: 1,3-difluoro-2-methyl-5-nitrobenzene.
Chemical Property Profile of 1,3-Difluoro-2-methyl-5-nitrobenzene
Property Insights of 1,3-Difluoro-2-methyl-5-nitrobenzene
The XLogP value of 2.18142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Difluoro-2-methyl-5-nitrobenzene. With a topological polar surface area (TPSA) of 43.14 Ų, 1,3-Difluoro-2-methyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Difluoro-2-methyl-5-nitrobenzene 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 1,3-Difluoro-2-methyl-5-nitrobenzene?
The CAS number of 1,3-Difluoro-2-methyl-5-nitrobenzene is 170572-48-2.
What is the molecular formula of 1,3-Difluoro-2-methyl-5-nitrobenzene?
The molecular formula of 1,3-Difluoro-2-methyl-5-nitrobenzene is C7H5F2NO2.
What is the molecular weight of 1,3-Difluoro-2-methyl-5-nitrobenzene?
The molecular weight of 1,3-Difluoro-2-methyl-5-nitrobenzene is 173.03 g/mol.
Where can I buy 1,3-Difluoro-2-methyl-5-nitrobenzene?
You can request a quote for 1,3-Difluoro-2-methyl-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Difluoro-2-methyl-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Difluoro-2-methyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.