TL;DR: Vinyl 2-Chlorobenzoate (stabilized with HQ) (CAS 15721-27-4) is a chemical compound with molecular formula C9H7ClO2 and molecular weight 182.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethenyl 2-chlorobenzoate
Also Known As: Vinyl 2-chlorobenzoate, ethenyl 2-chlorobenzoate, 2-Chlorobenzoic Acid Vinyl Ester, Vinyl o-chlorobenzoate, 3-Ethoxyacryloyl chloride
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H7ClO2 |
| Molecular Weight | 182.01346 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.01346 Da |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
| SMILES | C=COC(=O)C1=CC=CC=C1Cl |
| InChIKey | ZJIHUSWGELHYBJ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl 2-Chlorobenzoate (stabilized with HQ). With a topological polar surface area (TPSA) of 26.3 Ų, Vinyl 2-Chlorobenzoate (stabilized with HQ) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl 2-Chlorobenzoate (stabilized with HQ) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Vinyl 2-Chlorobenzoate (stabilized with HQ) is 15721-27-4.
The molecular formula of Vinyl 2-Chlorobenzoate (stabilized with HQ) is C9H7ClO2.
The molecular weight of Vinyl 2-Chlorobenzoate (stabilized with HQ) is 182.01346 g/mol.
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