2-(Benzyloxy)-6-bromo-4-nitroaniline
TL;DR: 2-(Benzyloxy)-6-bromo-4-nitroaniline (CAS 127028-17-5) is a chemical compound with molecular formula C13H11BrN2O3 and molecular weight 321.9953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-4-nitro-6-phenylmethoxyaniline
Also Known As: 2-(benzyloxy)-6-bromo-4-nitroaniline, 2-bromo-4-nitro-6-phenylmethoxyaniline, AQ-776/42801106
Technical Specifications
| Molecular Formula | C13H11BrN2O3 |
| Molecular Weight | 321.9953 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.9953 Da |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
| SMILES | C1=CC=C(C=C1)COC2=C(C(=CC(=C2)[N+](=O)[O-])Br)N |
| InChIKey | CRKNEPJRORQMRX-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzyloxy)-6-bromo-4-nitroaniline
Property Insights of 2-(Benzyloxy)-6-bromo-4-nitroaniline
The XLogP value of 3.2 indicates that 2-(Benzyloxy)-6-bromo-4-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzyloxy)-6-bromo-4-nitroaniline. Following Lipinski's Rule of Five, 2-(Benzyloxy)-6-bromo-4-nitroaniline has 1 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 2-(Benzyloxy)-6-bromo-4-nitroaniline?
The CAS number of 2-(Benzyloxy)-6-bromo-4-nitroaniline is 127028-17-5.
What is the molecular formula of 2-(Benzyloxy)-6-bromo-4-nitroaniline?
The molecular formula of 2-(Benzyloxy)-6-bromo-4-nitroaniline is C13H11BrN2O3.
What is the molecular weight of 2-(Benzyloxy)-6-bromo-4-nitroaniline?
The molecular weight of 2-(Benzyloxy)-6-bromo-4-nitroaniline is 321.9953 g/mol.
Where can I buy 2-(Benzyloxy)-6-bromo-4-nitroaniline?
You can request a quote for 2-(Benzyloxy)-6-bromo-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzyloxy)-6-bromo-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for 2-(Benzyloxy)-6-bromo-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.