(4-Bromo-2-chlorophenyl) acetate
TL;DR: (4-Bromo-2-chlorophenyl) acetate (CAS 102932-05-8) is a chemical compound with molecular formula C8H6BrClO2 and molecular weight 247.92397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-bromo-2-chlorophenyl) acetate
Also Known As: 4-bromo-2-chlorophenyl acetate, (4-bromo-2-chlorophenyl) acetate, 4-bromo-2-chlorophenylacetate, Phenol,4-bromo-2-chloro-, 1-acetate, (4-bromo-2-chloro-phenyl) Acetate
Technical Specifications
| Molecular Formula | C8H6BrClO2 |
| Molecular Weight | 247.92397 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.92397 Da |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| SMILES | CC(=O)OC1=C(C=C(C=C1)Br)Cl |
| InChIKey | RWPCQJOZQXSJGQ-UHFFFAOYSA-N |
Chemical Property Profile of (4-Bromo-2-chlorophenyl) acetate
Property Insights of (4-Bromo-2-chlorophenyl) acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Bromo-2-chlorophenyl) acetate. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Bromo-2-chlorophenyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-2-chlorophenyl) acetate 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 (4-Bromo-2-chlorophenyl) acetate?
The CAS number of (4-Bromo-2-chlorophenyl) acetate is 102932-05-8.
What is the molecular formula of (4-Bromo-2-chlorophenyl) acetate?
The molecular formula of (4-Bromo-2-chlorophenyl) acetate is C8H6BrClO2.
What is the molecular weight of (4-Bromo-2-chlorophenyl) acetate?
The molecular weight of (4-Bromo-2-chlorophenyl) acetate is 247.92397 g/mol.
Where can I buy (4-Bromo-2-chlorophenyl) acetate?
You can request a quote for (4-Bromo-2-chlorophenyl) acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Bromo-2-chlorophenyl) acetate?
Yes, CoreyChem provides custom synthesis services for (4-Bromo-2-chlorophenyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.