0FO
Summary
| Name: | 6-bromo-4-hydroxy-2H-chromen-2-one |
| Formula: | C9 H5 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 241.038 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-4-hydroxy-2H-chromen-2-one |
| OpenEye OEToolkits | 1.7.6 | 6-bromanyl-4-oxidanyl-chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2ccc1OC(=O)C=C(O)c1c2 |
| InChI | InChI | 1.03 | InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H |
| InChIKey | InChI | 1.03 | KNMCTCABMSGXGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC1=CC(=O)Oc2ccc(Br)cc12 |
| SMILES | CACTVS | 3.370 | OC1=CC(=O)Oc2ccc(Br)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Br)C(=CC(=O)O2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Br)C(=CC(=O)O2)O |
