TL;DR: 1,4-Benzodioxin, 6,7-dichloro-2-methyl- (CAS 100310-85-8) is a chemical compound with molecular formula C9H6Cl2O2 and molecular weight 215.97449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dichloro-3-methyl-1,4-benzodioxine
Also Known As: 2-Methyl-6,7-dichloro-1,4-benzodioxin, 6,7-Dichloro-2-methyl-1,4-benzodioxin, 1,4-BENZODIOXIN, 6,7-DICHLORO-2-METHYL-, 6,7-dichloro-2-methyl-1,4-benzodioxine, 6,7-dichloro-3-methyl-1,4-benzodioxine
| Molecular Formula | C9H6Cl2O2 |
| Molecular Weight | 215.97449 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.97449 Da |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
| SMILES | CC1=COC2=CC(=C(C=C2O1)Cl)Cl |
| InChIKey | YKJSLNHOYZCUHS-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1,4-Benzodioxin, 6,7-dichloro-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Benzodioxin, 6,7-dichloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxin, 6,7-dichloro-2-methyl- 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 1,4-Benzodioxin, 6,7-dichloro-2-methyl- is 100310-85-8.
The molecular formula of 1,4-Benzodioxin, 6,7-dichloro-2-methyl- is C9H6Cl2O2.
The molecular weight of 1,4-Benzodioxin, 6,7-dichloro-2-methyl- is 215.97449 g/mol.
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