A1C1M
Summary
| Name: | 6-chloro-1H-indole-2-carboxylic acid |
| Formula: | C9 H6 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 195.602 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 6-chloro-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 6-chloranyl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1cc2ccc(Cl)cc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C9H6ClNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13) |
| InChIKey | InChI | 1.06 | BKPSJOSKWKTWAG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2cc(Cl)ccc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2cc(Cl)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc2c1cc([nH]2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc2c1cc([nH]2)C(=O)O)Cl |
