XF0
Summary
| Name: | 2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide |
| Formula: | C12 H16 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 286.165 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-10-4-5-11(13)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.06 | MHJQFKQGSAFLRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCNC(=O)COc1ccc(Br)c(C)c1 |
| SMILES | CACTVS | 3.385 | CCCNC(=O)COc1ccc(Br)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)COc1ccc(c(c1)C)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCNC(=O)COc1ccc(c(c1)C)Br |
