A1COR
Summary
| Name: | 6-bromo-2-methyl-4H-3,1-benzoxazin-4-one |
| Formula: | C9 H6 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 240.053 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 6-bromo-2-methyl-4H-3,1-benzoxazin-4-one |
| OpenEye OEToolkits | 3.1.0.0 | 6-bromanyl-2-methyl-3,1-benzoxazin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1ccc2N=C(C)OC(=O)c2c1 |
| InChI | InChI | 1.06 | InChI=1S/C9H6BrNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3 |
| InChIKey | InChI | 1.06 | JCRULBKTDUOWMP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=Nc2ccc(Br)cc2C(=O)O1 |
| SMILES | CACTVS | 3.385 | CC1=Nc2ccc(Br)cc2C(=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1=Nc2ccc(cc2C(=O)O1)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1=Nc2ccc(cc2C(=O)O1)Br |
