PBX
Summary
| Name: | 4-bromobenzene-1,2,3-triol |
| Formula: | C6 H5 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 205.006 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromobenzene-1,2,3-triol |
| OpenEye OEToolkits | 1.7.6 | 4-bromanylbenzene-1,2,3-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc(O)c(O)c1O |
| InChI | InChI | 1.03 | InChI=1S/C6H5BrO3/c7-3-1-2-4(8)6(10)5(3)9/h1-2,8-10H |
| InChIKey | InChI | 1.03 | TYRFQQZIVRBJAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(Br)c(O)c1O |
| SMILES | CACTVS | 3.370 | Oc1ccc(Br)c(O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1O)O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1O)O)O)Br |
