6LY
Summary
| Name: | (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol |
| Formula: | C8 H10 Br N O |
| Formal charge: | 0 |
| Formula weight: | 216.075 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol |
| OpenEye OEToolkits | 2.0.4 | (1~{S})-2-azanyl-1-(4-bromophenyl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1Br)C(CN)O |
| InChI | InChI | 1.03 | InChI=1S/C8H10BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | RETMUAMXYIIWAQ-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@H](O)c1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | NC[CH](O)c1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1[C@@H](CN)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1C(CN)O)Br |
