1BP
Summary
| Name: | 1-BROMOPROPANE-2-OL |
| Formula: | C3 H7 Br O |
| Formal charge: | 0 |
| Formula weight: | 138.991 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-1-bromopropan-2-ol |
| OpenEye OEToolkits | 1.5.0 | (2R)-1-bromopropan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | BrCC(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)CBr |
| SMILES | CACTVS | 3.341 | C[CH](O)CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](CBr)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CBr)O |
| InChI | InChI | 1.03 | InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | WEGOLYBUWCMMMY-GSVOUGTGSA-N |
