MR5
Summary
| Name: | 4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL |
| Synonyms: | 2-(3,5-DIBROMO-4-HYDROXYPHENYL)BENZOXAZOLE |
| Formula: | C13 H7 Br2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 369.008 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol |
| OpenEye OEToolkits | 1.5.0 | 4-(1,3-benzoxazol-2-yl)-2,6-dibromo-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc3cc(c1nc2ccccc2o1)cc(Br)c3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Br)cc(cc1Br)c2oc3ccccc3n2 |
| SMILES | CACTVS | 3.341 | Oc1c(Br)cc(cc1Br)c2oc3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C13H7Br2NO2/c14-8-5-7(6-9(15)12(8)17)13-16-10-3-1-2-4-11(10)18-13/h1-6,17H |
| InChIKey | InChI | 1.03 | DMOJYCAJRLAKQW-UHFFFAOYSA-N |
