A1CQA
Summary
| Name: | 3-[(4-bromophenyl)methanesulfonyl]propan-1-ol |
| Formula: | C10 H13 Br O3 S |
| Formal charge: | 0 |
| Formula weight: | 293.177 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-[(4-bromophenyl)methanesulfonyl]propan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | 3-[(4-bromophenyl)methylsulfonyl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1ccc(CS(=O)(=O)CCCO)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H13BrO3S/c11-10-4-2-9(3-5-10)8-15(13,14)7-1-6-12/h2-5,12H,1,6-8H2 |
| InChIKey | InChI | 1.06 | OTWCJMQSDFADSF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCC[S](=O)(=O)Cc1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | OCCC[S](=O)(=O)Cc1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CS(=O)(=O)CCCO)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CS(=O)(=O)CCCO)Br |
