V3U
Summary
| Name: | 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one |
| Formula: | C8 H10 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 232.074 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3 |
| InChIKey | InChI | 1.06 | DIGIWFMOFFHOCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCN1C=CC(=CC1=O)Br |
| SMILES | CACTVS | 3.385 | COCCN1C=CC(=CC1=O)Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCN1C=CC(=CC1=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCN1C=CC(=CC1=O)Br |
