1-Tert-butyl-4-(2-nitroethenyl)benzene
TL;DR: 1-Tert-butyl-4-(2-nitroethenyl)benzene (CAS 1056474-04-4) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-tert-butyl-4-(2-nitroethenyl)benzene
Also Known As: 1-tert-butyl-4-(2-nitroethenyl)benzene, p-tert-Butyl-beta-nitrostyrol, Benzene, 1-(1,1-dimethylethyl)-4-(2-nitroethenyl)-, 1-(2-nitroethenyl)-4-tert-butyl-benzene, 1-(tert-butyl)-4-(2-nitrovinyl)benzene
Technical Specifications
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C=C[N+](=O)[O-] |
| InChIKey | IJWOILQYJXJHTF-UHFFFAOYSA-N |
Chemical Property Profile of 1-Tert-butyl-4-(2-nitroethenyl)benzene
Property Insights of 1-Tert-butyl-4-(2-nitroethenyl)benzene
The XLogP value of 4.0 indicates that 1-Tert-butyl-4-(2-nitroethenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Tert-butyl-4-(2-nitroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-4-(2-nitroethenyl)benzene 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
What is the CAS number of 1-Tert-butyl-4-(2-nitroethenyl)benzene?
The CAS number of 1-Tert-butyl-4-(2-nitroethenyl)benzene is 1056474-04-4.
What is the molecular formula of 1-Tert-butyl-4-(2-nitroethenyl)benzene?
The molecular formula of 1-Tert-butyl-4-(2-nitroethenyl)benzene is C12H15NO2.
What is the molecular weight of 1-Tert-butyl-4-(2-nitroethenyl)benzene?
The molecular weight of 1-Tert-butyl-4-(2-nitroethenyl)benzene is 205.11028 g/mol.
Where can I buy 1-Tert-butyl-4-(2-nitroethenyl)benzene?
You can request a quote for 1-Tert-butyl-4-(2-nitroethenyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Tert-butyl-4-(2-nitroethenyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Tert-butyl-4-(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.