TL;DR: Bromoacetyl chloride (CAS 22118-09-8) is a chemical compound with molecular formula C2H2BrClO and molecular weight 155.89775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromoacetyl chloride
Also Known As: Bromoacetyl chloride, 2-bromoacetyl chloride, bromoacetylchloride, Acetyl chloride, bromo-, bromacetylchioride
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C2H2BrClO |
| Molecular Weight | 155.89775 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.89775 Da |
| Heavy Atoms | 5 |
| Complexity | 44.0 |
| SMILES | C(C(=O)Cl)Br |
| InChIKey | SYZRZLUNWVNNNV-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromoacetyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, Bromoacetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromoacetyl chloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bromoacetyl chloride is 22118-09-8.
The molecular formula of Bromoacetyl chloride is C2H2BrClO.
The molecular weight of Bromoacetyl chloride is 155.89775 g/mol.
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