1-(4-Bromobutoxy)-2-nitrobenzene
TL;DR: 1-(4-Bromobutoxy)-2-nitrobenzene (CAS 118327-50-7) is a chemical compound with molecular formula C10H12BrNO3 and molecular weight 273.00006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromobutoxy)-2-nitrobenzene
Also Known As: 1-(4-bromobutoxy)-2-nitrobenzene, 2-Nitrophenoxybutylbromide, 2-Nitrophenoxybutyl bromide, Benzene,1-(4-bromobutoxy)-2-nitro-
Technical Specifications
| Molecular Formula | C10H12BrNO3 |
| Molecular Weight | 273.00006 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.00006 Da |
| Heavy Atoms | 15 |
| Complexity | 196.0 |
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCCCCBr |
| InChIKey | PQTCDOPRKWQEBA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Bromobutoxy)-2-nitrobenzene
Property Insights of 1-(4-Bromobutoxy)-2-nitrobenzene
The XLogP value of 3.2 indicates that 1-(4-Bromobutoxy)-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(4-Bromobutoxy)-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromobutoxy)-2-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-(4-Bromobutoxy)-2-nitrobenzene?
The CAS number of 1-(4-Bromobutoxy)-2-nitrobenzene is 118327-50-7.
What is the molecular formula of 1-(4-Bromobutoxy)-2-nitrobenzene?
The molecular formula of 1-(4-Bromobutoxy)-2-nitrobenzene is C10H12BrNO3.
What is the molecular weight of 1-(4-Bromobutoxy)-2-nitrobenzene?
The molecular weight of 1-(4-Bromobutoxy)-2-nitrobenzene is 273.00006 g/mol.
Where can I buy 1-(4-Bromobutoxy)-2-nitrobenzene?
You can request a quote for 1-(4-Bromobutoxy)-2-nitrobenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Bromobutoxy)-2-nitrobenzene?
Yes, CoreyChem provides custom synthesis services for 1-(4-Bromobutoxy)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.