ML-9 free base
1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane
| Molecular Formula | C15H17ClN2O2S |
|---|---|
| Molecular Weight | 324.8 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.06992 |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 110448-31-2 |
|---|---|
| SMILES | C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl |
| InChIKey | OZSMSRIUUDGTEP-UHFFFAOYSA-N |
📖 Product Overview
ML-9 free base (CAS: 110448-31-2) is a chemical compound with molecular formula C15H17ClN2O2S and molecular weight 324.8 g/mol. Its IUPAC systematic name is 1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane.
OZSMSRIUUDGTEP-UHFFFAOYSA-N.
SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl.
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