A1I4V
Summary
| Name: | ~{N}-(3-chloranyl-4-methyl-phenyl)ethanamide |
| Formula: | C9 H10 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 183.635 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chloranyl-4-methyl-phenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10ClNO/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.06 | IGLVCWPPISIXPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(C)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(C)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Cl)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Cl)NC(=O)C |
