A1CO9
Summary
| Name: | (6-bromo-1H-indol-2-yl)methanol |
| Formula: | C9 H8 Br N O |
| Formal charge: | 0 |
| Formula weight: | 226.07 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6-bromo-1H-indol-2-yl)methanol |
| OpenEye OEToolkits | 3.1.0.0 | (6-bromanyl-1~{H}-indol-2-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1ccc2cc(CO)[NH]c2c1 |
| InChI | InChI | 1.06 | InChI=1S/C9H8BrNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-4,11-12H,5H2 |
| InChIKey | InChI | 1.06 | CNSVVCNALIWZAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1[nH]c2cc(Br)ccc2c1 |
| SMILES | CACTVS | 3.385 | OCc1[nH]c2cc(Br)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc2c1cc([nH]2)CO)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc2c1cc([nH]2)CO)Br |
