LW3
Summary
| Name: | 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile |
| Formula: | C9 H5 Br Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 270.513 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(5-bromanyl-6-chloranyl-1~{H}-indazol-3-yl)ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H5BrClN3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14) |
| InChIKey | InChI | 1.06 | FAGVHGZPQSWXCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2[nH]nc(CC#N)c2cc1Br |
| SMILES | CACTVS | 3.385 | Clc1cc2[nH]nc(CC#N)c2cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Br)Cl)[nH]nc2CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Br)Cl)[nH]nc2CC#N |
