C9H8Cl2O3 — CID 16563
1,4-Benzodioxan-2-methanol, 6,7-dichloro- (PubChem CID 16563) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.06 g/mol. Its IUPAC name is (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol.
| Compound Name | 1,4-Benzodioxan-2-methanol, 6,7-dichloro- |
|---|---|
| PubChem CID | 16563 |
| Molecular Formula | C9H8Cl2O3 |
| Molecular Weight | 235.06 g/mol |
| Exact Mass | 233.99 |
| IUPAC Name | (6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol |
| SMILES | C1C(OC2=CC(=C(C=C2O1)Cl)Cl)CO |
| InChIKey | YSKZPQPJOWLVSP-UHFFFAOYSA-N |
| XLogP | 2.30 |
| TPSA | 38.70 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 14 |
| Complexity | 202 |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 235.06 |
| LogP ≤ 5 | 2.30 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |