BXZ
Summary
| Name: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol |
| Formula: | C13 H8 Br N O4 |
| Formal charge: | 0 |
| Formula weight: | 322.111 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol |
| OpenEye OEToolkits | 1.5.0 | 4-bromo-6-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc3cc(c2noc1cc(O)ccc12)c(O)cc3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc2c(onc2c3cc(Br)c(O)cc3O)c1 |
| SMILES | CACTVS | 3.341 | Oc1ccc2c(onc2c3cc(Br)c(O)cc3O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H |
| InChIKey | InChI | 1.03 | LZACPHWPRDKUPK-UHFFFAOYSA-N |
