3-(4-Bromo-2-nitrophenyl)prop-2-enal
TL;DR: 3-(4-Bromo-2-nitrophenyl)prop-2-enal (CAS 1020701-66-9) is a chemical compound with molecular formula C9H6BrNO3 and molecular weight 254.95311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-bromo-2-nitrophenyl)prop-2-enal
Also Known As: 3-(4-bromo-2-nitrophenyl)prop-2-enal, (2E)-3-(4-bromo-2-nitrophenyl)prop-2-enal, (E)-3-(4-Bromo-2-nitrophenyl)acrylaldehyde, (E)-3-(4-bromo-2-nitrophenyl)prop-2-enal, trans-3-(4-bromo-2-nitrophenyl)prop-2-enal
Technical Specifications
| Molecular Formula | C9H6BrNO3 |
| Molecular Weight | 254.95311 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.95311 Da |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])/C=C/C=O |
| InChIKey | FBWJLOVQMUCMDU-OWOJBTEDSA-N |
Chemical Property Profile of 3-(4-Bromo-2-nitrophenyl)prop-2-enal
Property Insights of 3-(4-Bromo-2-nitrophenyl)prop-2-enal
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromo-2-nitrophenyl)prop-2-enal. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromo-2-nitrophenyl)prop-2-enal. Following Lipinski's Rule of Five, 3-(4-Bromo-2-nitrophenyl)prop-2-enal 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 3-(4-Bromo-2-nitrophenyl)prop-2-enal?
The CAS number of 3-(4-Bromo-2-nitrophenyl)prop-2-enal is 1020701-66-9.
What is the molecular formula of 3-(4-Bromo-2-nitrophenyl)prop-2-enal?
The molecular formula of 3-(4-Bromo-2-nitrophenyl)prop-2-enal is C9H6BrNO3.
What is the molecular weight of 3-(4-Bromo-2-nitrophenyl)prop-2-enal?
The molecular weight of 3-(4-Bromo-2-nitrophenyl)prop-2-enal is 254.95311 g/mol.
Where can I buy 3-(4-Bromo-2-nitrophenyl)prop-2-enal?
You can request a quote for 3-(4-Bromo-2-nitrophenyl)prop-2-enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Bromo-2-nitrophenyl)prop-2-enal?
Yes, CoreyChem provides custom synthesis services for 3-(4-Bromo-2-nitrophenyl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.