o-Bromo-nitrostyrene
TL;DR: o-Bromo-nitrostyrene (CAS 155988-33-3) is a chemical compound with molecular formula C8H6BrNO2 and molecular weight 226.95819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-2-(2-nitroethenyl)benzene
Also Known As: o-bromo-nitrostyrene, 2-bromo-nitrostyrene, 1-bromo-2-(2-nitroethenyl)benzene, 1-bromo-2-[(E)-2-nitroethenyl]benzene, (E)-1-bromo-2-(2-nitrovinyl)benzene
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6BrNO2 |
| Molecular Weight | 226.95819 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.95819 Da |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
| SMILES | C1=CC=C(C(=C1)C=C[N+](=O)[O-])Br |
| InChIKey | QKFDNZXJABSGIO-UHFFFAOYSA-N |
Chemical Property Profile of o-Bromo-nitrostyrene
Property Insights of o-Bromo-nitrostyrene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Bromo-nitrostyrene. With a topological polar surface area (TPSA) of 45.8 Ų, o-Bromo-nitrostyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Bromo-nitrostyrene 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 o-Bromo-nitrostyrene?
The CAS number of o-Bromo-nitrostyrene is 155988-33-3.
What is the molecular formula of o-Bromo-nitrostyrene?
The molecular formula of o-Bromo-nitrostyrene is C8H6BrNO2.
What is the molecular weight of o-Bromo-nitrostyrene?
The molecular weight of o-Bromo-nitrostyrene is 226.95819 g/mol.
Where can I buy o-Bromo-nitrostyrene?
You can request a quote for o-Bromo-nitrostyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Bromo-nitrostyrene?
Yes, CoreyChem provides custom synthesis services for o-Bromo-nitrostyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.