IW3
Summary
| Name: | 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol |
| Formula: | C14 H11 Br2 N O |
| Formal charge: | 0 |
| Formula weight: | 369.051 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol |
| OpenEye OEToolkits | 1.6.1 | 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromo-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Brc1cc(cc(Br)c1O)\C=C\c2ccc(N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ccc(cc1)\C=C\c2cc(Br)c(O)c(Br)c2 |
| SMILES | CACTVS | 3.352 | Nc1ccc(cc1)C=Cc2cc(Br)c(O)c(Br)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C=Cc2cc(c(c(c2)Br)O)Br)N |
| InChI | InChI | 1.03 | InChI=1S/C14H11Br2NO/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8,18H,17H2/b2-1+ |
| InChIKey | InChI | 1.03 | AZVOHBNUGLEXNG-OWOJBTEDSA-N |
