TL;DR: 2,3-Dibromophenol (CAS 57383-80-9) is a chemical compound with molecular formula C6H4Br2O and molecular weight 249.86288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dibromophenol
Also Known As: 2,3-DIBROMOPHENOL, Phenol, dibromo-, DIBROMOPHENOL, dibromo-phenol, Phenol, 2,3-dibromo-
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H4Br2O |
| Molecular Weight | 249.86288 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.86084 Da |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| SMILES | C1=CC(=C(C(=C1)Br)Br)O |
| InChIKey | FNAKEOXYWBWIRT-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromophenol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,3-Dibromophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromophenol has 1 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 2,3-Dibromophenol is 57383-80-9.
The molecular formula of 2,3-Dibromophenol is C6H4Br2O.
The molecular weight of 2,3-Dibromophenol is 249.86288 g/mol.
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