1-Nitro-4-(2-nitropropan-2-yl)benzene
TL;DR: 1-Nitro-4-(2-nitropropan-2-yl)benzene (CAS 3276-35-5) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(2-nitropropan-2-yl)benzene
Also Known As: 4,7-Dinitrocumene, 1-nitro-4-(2-nitropropan-2-yl)benzene, 2-(4-nitrophenyl)-2-nitropropane, 2-Nitro-2-(4-nitrophenyl)propane, 1-(1-methyl-1-nitroethyl)-4-nitrobenzene
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 3276-35-5 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | TVMFOXFWIMATIK-UHFFFAOYSA-N |
Product Overview
1-Nitro-4-(2-nitropropan-2-yl)benzene (CAS 3276-35-5), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: 1-nitro-4-(2-nitropropan-2-yl)benzene.
Chemical Property Profile of 1-Nitro-4-(2-nitropropan-2-yl)benzene
Property Insights of 1-Nitro-4-(2-nitropropan-2-yl)benzene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-(2-nitropropan-2-yl)benzene. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4-(2-nitropropan-2-yl)benzene. Following Lipinski's Rule of Five, 1-Nitro-4-(2-nitropropan-2-yl)benzene 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-Nitro-4-(2-nitropropan-2-yl)benzene?
The CAS number of 1-Nitro-4-(2-nitropropan-2-yl)benzene is 3276-35-5.
What is the molecular formula of 1-Nitro-4-(2-nitropropan-2-yl)benzene?
The molecular formula of 1-Nitro-4-(2-nitropropan-2-yl)benzene is C9H10N2O4.
What is the molecular weight of 1-Nitro-4-(2-nitropropan-2-yl)benzene?
The molecular weight of 1-Nitro-4-(2-nitropropan-2-yl)benzene is 210.06 g/mol.
Where can I buy 1-Nitro-4-(2-nitropropan-2-yl)benzene?
You can request a quote for 1-Nitro-4-(2-nitropropan-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-(2-nitropropan-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(2-nitropropan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.