TL;DR: 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride (CAS 108551-60-6) 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.
5-bromo-2,3-dihydro-1-benzofuran-7-carbonyl chloride
Also Known As: 5-bromo-2,3-dihydro-1-benzofuran-7-carbonyl chloride, 5-BROMO-2,3-DIHYDROBENZO[B]FURAN-7-CARBONYL CHLORIDE, 5-bromo-2,3-dihydrobenzofuran-7-carbonyl chloride, 7-Benzofurancarbonylchloride, 5-bromo-2,3-dihydro-, 5-bromo-2,3-dihydrobenzo[b]-furan-7-carbonyl chloride
| Molecular Formula | C9H6BrClO2 |
| Molecular Weight | 259.92398 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.92398 Da |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
| SMILES | C1COC2=C1C=C(C=C2C(=O)Cl)Br |
| InChIKey | WGOAQNQGOZTVID-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride 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 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride is 108551-60-6.
The molecular formula of 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride is C9H6BrClO2.
The molecular weight of 5-Bromo-2,3-dihydrobenzo[B]furan-7-carbonyl chloride is 259.92398 g/mol.
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