HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[Bis(2-chloroethyl)aminomethyl]benzene-1,4-diol
![2-[Bis(2-chloroethyl)aminomethyl]benzene-1,4-diol molecular structure](/img/chemical/238564.png)
Identifiers & Physical Properties
| CAS No. | 91245-27-1 |
|---|---|
| Molecular formula | C11H15Cl2NO2 |
| Average molar mass | 264.14 g/mol |
| Monoisotopic mass | 263.0479841 g/mol |
| SMILES | Oc1ccc(O)c(CN(CCCl)CCCl)c1 |
| InChIKey | YSKJZQHPVCHXAH-UHFFFAOYSA-N |
| PubChem CID | 238564 |
| DTXSID | DTXSID90285849 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 43.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 189 |