1DW
Summary
| Name: | 2-bromo-5-hydroxybenzaldehyde |
| Formula: | C7 H5 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 201.017 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-bromo-5-hydroxybenzaldehyde |
| OpenEye OEToolkits | 1.7.6 | 2-bromanyl-5-oxidanyl-benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1cc(O)ccc1Br |
| InChI | InChI | 1.03 | InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H |
| InChIKey | InChI | 1.03 | SCRQAWQJSSKCFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(Br)c(C=O)c1 |
| SMILES | CACTVS | 3.370 | Oc1ccc(Br)c(C=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1O)C=O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1O)C=O)Br |
