BE1
Summary
| Name: | N-BROMOACETYL-AMINOETHYL PHOSPHATE |
| Formula: | C4 H9 Br N O5 P |
| Formal charge: | 0 |
| Formula weight: | 261.996 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[acetyl(bromo)amino]ethyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | 2-(bromo-ethanoyl-amino)ethyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OCCN(Br)C(=O)C)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N(Br)CCO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N(Br)CCO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N(CCOP(=O)(O)O)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)N(CCOP(=O)(O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C4H9BrNO5P/c1-4(7)6(5)2-3-11-12(8,9)10/h2-3H2,1H3,(H2,8,9,10) |
| InChIKey | InChI | 1.03 | DPNUMPJWOVYEOX-UHFFFAOYSA-N |
