A1BHT
Summary
| Name: | [4-(bromoacetyl)phenoxy]acetic acid |
| Formula: | C10 H9 Br O4 |
| Formal charge: | 0 |
| Formula weight: | 273.08 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [4-(bromoacetyl)phenoxy]acetic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2-[4-(2-bromanylethanoyl)phenoxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | BrCC(=O)c1ccc(OCC(=O)O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H9BrO4/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-4H,5-6H2,(H,13,14) |
| InChIKey | InChI | 1.06 | RLSUZPAAQRBGTM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COc1ccc(cc1)C(=O)CBr |
| SMILES | CACTVS | 3.385 | OC(=O)COc1ccc(cc1)C(=O)CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C(=O)CBr)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C(=O)CBr)OCC(=O)O |
