A1ATC
Summary
| Name: | [(1S)-1-chloroethyl]benzene |
| Formula: | C8 H9 Cl |
| Formal charge: | 0 |
| Formula weight: | 140.61 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1S)-1-chloroethyl]benzene |
| OpenEye OEToolkits | 2.0.7 | [(1~{S})-1-chloranylethyl]benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(Cl)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | GTLWADFFABIGAE-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cl)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH](Cl)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)Cl |
