A1H6Y
Summary
| Name: | 1-bromanyl-4-methylsulfonyl-benzene |
| Formula: | C7 H7 Br O2 S |
| Formal charge: | 0 |
| Formula weight: | 235.098 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-bromanyl-4-methylsulfonyl-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChIKey | InChI | 1.06 | FJLFSYRGFJDJMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1ccc(cc1)Br |
