4-Methyl-2-nitro-1-nitrosobenzene
TL;DR: 4-Methyl-2-nitro-1-nitrosobenzene (CAS 6971-33-1) is a chemical compound with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-nitro-1-nitrosobenzene
Also Known As: 3-Nitro-4-nitrosotoluene, 4-methyl-2-nitro-1-nitrosobenzene, Benzene, 4-methyl-2-nitro-1-nitroso-, Toluene, 3-nitro-4-nitroso-, 4-Methyl-2-nitro-1-nitroso-benzene
| Molecular Formula | C7H6N2O3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.03784 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 6971-33-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=O)[N+](=O)[O-] |
| InChIKey | UORRERBFSRQJHQ-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-nitro-1-nitrosobenzene (CAS 6971-33-1), with molecular formula C7H6N2O3 and molecular weight 166.04 g/mol. IUPAC: 4-methyl-2-nitro-1-nitrosobenzene.
Chemical Property Profile of 4-Methyl-2-nitro-1-nitrosobenzene
Property Insights of 4-Methyl-2-nitro-1-nitrosobenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-nitro-1-nitrosobenzene. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-nitro-1-nitrosobenzene. Following Lipinski's Rule of Five, 4-Methyl-2-nitro-1-nitrosobenzene 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 4-Methyl-2-nitro-1-nitrosobenzene?
The CAS number of 4-Methyl-2-nitro-1-nitrosobenzene is 6971-33-1.
What is the molecular formula of 4-Methyl-2-nitro-1-nitrosobenzene?
The molecular formula of 4-Methyl-2-nitro-1-nitrosobenzene is C7H6N2O3.
What is the molecular weight of 4-Methyl-2-nitro-1-nitrosobenzene?
The molecular weight of 4-Methyl-2-nitro-1-nitrosobenzene is 166.04 g/mol.
Where can I buy 4-Methyl-2-nitro-1-nitrosobenzene?
You can request a quote for 4-Methyl-2-nitro-1-nitrosobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-nitro-1-nitrosobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-nitro-1-nitrosobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.