KC0
Summary
| Name: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile |
| Formula: | C10 H7 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 235.08 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H7BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2 |
| InChIKey | InChI | 1.06 | QPEAZVAMEMXQHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc2[nH]cc(CC#N)c2c1 |
| SMILES | CACTVS | 3.385 | Brc1ccc2[nH]cc(CC#N)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)c(c[nH]2)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Br)c(c[nH]2)CC#N |
