BBR
Summary
| Name: | (3-bromo-2-oxo-propoxy)phosphonic acid |
| Formula: | C3 H6 Br O5 P |
| Formal charge: | 0 |
| Formula weight: | 232.955 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-bromo-2-oxopropyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | (3-bromo-2-oxo-propyl) dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(=O)CBr |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)OCC(=O)CBr |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)OCC(=O)CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)CBr)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)CBr)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H6BrO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8) |
| InChIKey | InChI | 1.03 | QXVSTTOPPFAZGJ-UHFFFAOYSA-N |
