YFR
Summary
| Name: | 6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one |
| Formula: | C10 H9 Br O4 |
| Formal charge: | 0 |
| Formula weight: | 273.08 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-2,2-dimethyl-7-oxidanyl-1,3-benzodioxin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc2C(=O)OC(C)(C)Oc2cc1O |
| InChI | InChI | 1.06 | InChI=1S/C10H9BrO4/c1-10(2)14-8-4-7(12)6(11)3-5(8)9(13)15-10/h3-4,12H,1-2H3 |
| InChIKey | InChI | 1.06 | FOZVJTHORLMHQD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)OC(=O)c2cc(Br)c(O)cc2O1 |
| SMILES | CACTVS | 3.385 | CC1(C)OC(=O)c2cc(Br)c(O)cc2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(Oc2cc(c(cc2C(=O)O1)Br)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(Oc2cc(c(cc2C(=O)O1)Br)O)C |
