Y1L
Summary
| Name: | (5-chloro-1-benzothiophen-3-yl)methanol |
| Formula: | C9 H7 Cl O S |
| Formal charge: | 0 |
| Formula weight: | 198.669 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-chloro-1-benzothiophen-3-yl)methanol |
| OpenEye OEToolkits | 2.0.7 | (5-chloranyl-1-benzothiophen-3-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc2c(cc1)scc2CO |
| InChI | InChI | 1.06 | InChI=1S/C9H7ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2 |
| InChIKey | InChI | 1.06 | PUSCUZZEDIEHOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1csc2ccc(Cl)cc12 |
| SMILES | CACTVS | 3.385 | OCc1csc2ccc(Cl)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)c(cs2)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)c(cs2)CO |
