ZGF
Summary
| Name: | N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide |
| Formula: | C9 H8 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 213.618 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(6-chloranyl-1,3-benzodioxol-5-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)Nc1cc2OCOc2cc1Cl |
| InChI | InChI | 1.06 | InChI=1S/C9H8ClNO3/c1-5(12)11-7-3-9-8(2-6(7)10)13-4-14-9/h2-3H,4H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.06 | WITYEMPIFDFQAG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cc2OCOc2cc1Cl |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cc2OCOc2cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc2c(cc1Cl)OCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc2c(cc1Cl)OCO2 |
