IIH
Summary
| Name: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol |
| Synonyms: | 2-(3,5-Diiodo-4-hydroxyphenyl)-7-chlorobenzoxazole |
| Formula: | C13 H6 Cl I2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 497.454 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol |
| OpenEye OEToolkits | 1.7.0 | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodo-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic3cc(c1nc2cccc(Cl)c2o1)cc(I)c3O |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1c(I)cc(cc1I)c2oc3c(Cl)cccc3n2 |
| SMILES | CACTVS | 3.370 | Oc1c(I)cc(cc1I)c2oc3c(Cl)cccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I |
| InChI | InChI | 1.03 | InChI=1S/C13H6ClI2NO2/c14-7-2-1-3-10-12(7)19-13(17-10)6-4-8(15)11(18)9(16)5-6/h1-5,18H |
| InChIKey | InChI | 1.03 | VVINERCPKRFEOL-UHFFFAOYSA-N |
