KEC
Summary
| Name: | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile |
| Formula: | C10 H6 Br Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 269.525 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H6BrClN2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1H2 |
| InChIKey | InChI | 1.06 | FDOAIDRNPWUQBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2[nH]cc(CC#N)c2cc1Br |
| SMILES | CACTVS | 3.385 | Clc1cc2[nH]cc(CC#N)c2cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Br)Cl)[nH]cc2CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Br)Cl)[nH]cc2CC#N |
