1,2-Difluoro-4-methyl-5-nitrobenzene
TL;DR: 1,2-Difluoro-4-methyl-5-nitrobenzene (CAS 127371-50-0) is a chemical compound with molecular formula C7H5F2NO2 and molecular weight 173.02884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-difluoro-4-methyl-5-nitrobenzene
Also Known As: 1,2-difluoro-4-methyl-5-nitrobenzene, 4,5-Difluoro-2-nitrotoluene, 2-Nitro-4,5-difluorotoluene, 4,5-Difluoro-2-methylnitrobenzene, Benzene, 1,2-difluoro-4-methyl-5-nitro-
Technical Specifications
| Molecular Formula | C7H5F2NO2 |
| Molecular Weight | 173.02884 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.02884 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])F)F |
| InChIKey | DJEBTFSOEQWELL-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Difluoro-4-methyl-5-nitrobenzene
Property Insights of 1,2-Difluoro-4-methyl-5-nitrobenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Difluoro-4-methyl-5-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2-Difluoro-4-methyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Difluoro-4-methyl-5-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
What is the CAS number of 1,2-Difluoro-4-methyl-5-nitrobenzene?
The CAS number of 1,2-Difluoro-4-methyl-5-nitrobenzene is 127371-50-0.
What is the molecular formula of 1,2-Difluoro-4-methyl-5-nitrobenzene?
The molecular formula of 1,2-Difluoro-4-methyl-5-nitrobenzene is C7H5F2NO2.
What is the molecular weight of 1,2-Difluoro-4-methyl-5-nitrobenzene?
The molecular weight of 1,2-Difluoro-4-methyl-5-nitrobenzene is 173.02884 g/mol.
Where can I buy 1,2-Difluoro-4-methyl-5-nitrobenzene?
You can request a quote for 1,2-Difluoro-4-methyl-5-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Difluoro-4-methyl-5-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1,2-Difluoro-4-methyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.