(2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid
TL;DR: (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid (CAS 1022081-97-5) is a chemical compound with molecular formula C9H6BrClO2 and molecular weight 259.92398 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid
Also Known As: 4-Bromo-3-chlorocinnamic acid, (E)-3-(4-bromo-3-chlorophenyl)acrylic acid, 4-Bromo-3-chlorocinnamicacid, 3-(4-bromo-3-chlorophenyl)prop-2-enoic acid, (2E)-3-(4-bromo-3-chlorophenyl)acrylic acid
Technical Specifications
| Molecular Formula | C9H6BrClO2 |
| Molecular Weight | 259.92398 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.92398 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O)Cl)Br |
| InChIKey | TZPKGXJKJIOUNI-DUXPYHPUSA-N |
Chemical Property Profile of (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid
Property Insights of (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid
The XLogP value of 3.2 indicates that (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid has 1 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 (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid?
The CAS number of (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid is 1022081-97-5.
What is the molecular formula of (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid?
The molecular formula of (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid is C9H6BrClO2.
What is the molecular weight of (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid?
The molecular weight of (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid is 259.92398 g/mol.
Where can I buy (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid?
You can request a quote for (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(4-bromo-3-chlorophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.