3-Fluoro-4-nitro-o-xylene
TL;DR: 3-Fluoro-4-nitro-o-xylene (CAS 3013-30-7) is a chemical compound with molecular formula C8H8FNO2 and molecular weight 169.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-1,2-dimethyl-4-nitrobenzene
Also Known As: 3-Fluoro-4-nitro-o-xylene, 3-fluoro-1,2-dimethyl-4-nitrobenzene, 2-fluoro-3,4-dimethyl-1-nitrobenzene, 2-fluoro-3,4-dimethyl-1-nitro-benzene, RefChem:279445
| Molecular Formula | C8H8FNO2 |
|---|---|
| Molecular Weight | 169.05 g/mol |
| LogP | 2.35074 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.05391 |
| Heavy Atoms | 12 |
| Complexity | 336.0749 |
Chemical Identifiers
| CAS Number | 3013-30-7 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])F)C |
Product Overview
3-Fluoro-4-nitro-o-xylene (CAS 3013-30-7), with molecular formula C8H8FNO2 and molecular weight 169.05 g/mol. IUPAC: 3-fluoro-1,2-dimethyl-4-nitrobenzene.
Chemical Property Profile of 3-Fluoro-4-nitro-o-xylene
Property Insights of 3-Fluoro-4-nitro-o-xylene
The XLogP value of 2.35074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-nitro-o-xylene. With a topological polar surface area (TPSA) of 43.14 Ų, 3-Fluoro-4-nitro-o-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-nitro-o-xylene 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 3-Fluoro-4-nitro-o-xylene?
The CAS number of 3-Fluoro-4-nitro-o-xylene is 3013-30-7.
What is the molecular formula of 3-Fluoro-4-nitro-o-xylene?
The molecular formula of 3-Fluoro-4-nitro-o-xylene is C8H8FNO2.
What is the molecular weight of 3-Fluoro-4-nitro-o-xylene?
The molecular weight of 3-Fluoro-4-nitro-o-xylene is 169.05 g/mol.
Where can I buy 3-Fluoro-4-nitro-o-xylene?
You can request a quote for 3-Fluoro-4-nitro-o-xylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-nitro-o-xylene?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-nitro-o-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.