C12H12Cl2N2O — CID 105331708
[1-(2,4-dichlorophenyl)-2-(furan-3-yl)ethyl]hydrazine (PubChem CID 105331708) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-2-(furan-3-yl)ethyl]hydrazine.
| Compound Name | [1-(2,4-dichlorophenyl)-2-(furan-3-yl)ethyl]hydrazine |
|---|---|
| PubChem CID | 105331708 |
| Molecular Formula | C12H12Cl2N2O |
| Molecular Weight | 271.15 g/mol |
| Exact Mass | 270.03 |
| IUPAC Name | [1-(2,4-dichlorophenyl)-2-(furan-3-yl)ethyl]hydrazine |
| SMILES | NNC(Cc1ccoc1)c1ccc(Cl)cc1Cl |
| InChI | InChI=1S/C12H12Cl2N2O/c13-9-1-2-10(11(14)6-9)12(16-15)5-8-3-4-17-7-8/h1-4,6-7,12,16H,5,15H2 |
| InChIKey | ZFRFUUXOFSYMNT-UHFFFAOYSA-N |
| XLogP | 3.33 |
| TPSA | 51.19 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 271.15 |
| LogP ≤ 5 | 3.33 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|