A1IVT
Summary
| Name: | 2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid |
| Formula: | C10 H8 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 209.629 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(6-chloranyl-1~{H}-indol-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H8ClNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14) |
| InChIKey | InChI | 1.06 | KKJVTNQWFSAWSK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1c[nH]c2cc(Cl)ccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1c[nH]c2cc(Cl)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)[nH]cc2CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)[nH]cc2CC(=O)O |
