A1CRA
Summary
| Name: | 4-(2-aminoethyl)-2-iodophenol |
| Formula: | C8 H10 I N O |
| Formal charge: | 0 |
| Formula weight: | 263.076 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-(2-aminoethyl)-2-iodophenol |
| OpenEye OEToolkits | 3.1.0.0 | 4-(2-azanylethyl)-2-iodanyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Ic1cc(CCN)ccc1O |
| InChI | InChI | 1.06 | InChI=1S/C8H10INO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2 |
| InChIKey | InChI | 1.06 | XJAUFQWJQUNMMW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1ccc(O)c(I)c1 |
| SMILES | CACTVS | 3.385 | NCCc1ccc(O)c(I)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1CCN)I)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1CCN)I)O |
