A1CS0
Summary
| Name: | (2-bromo-1,4-phenylene)dimethanol |
| Formula: | C8 H9 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 217.06 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2-bromo-1,4-phenylene)dimethanol |
| OpenEye OEToolkits | 3.1.0.0 | [3-bromanyl-4-(hydroxymethyl)phenyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCc1ccc(cc1Br)CO |
| InChI | InChI | 1.06 | InChI=1S/C8H9BrO2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,10-11H,4-5H2 |
| InChIKey | InChI | 1.06 | KYBPOEADFKOHSI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc(CO)c(Br)c1 |
| SMILES | CACTVS | 3.385 | OCc1ccc(CO)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1CO)Br)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1CO)Br)CO |
