3ZB
Summary
| Name: | 5-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 | 12.01 | 5-chloro-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 5-chloranyl-1H-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2cc1cc(Cl)ccc1n2 |
| InChI | InChI | 1.03 | InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) |
| InChIKey | InChI | 1.03 | FUQOTYRCMBZFOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2ccc(Cl)cc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2ccc(Cl)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)cc([nH]2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)cc([nH]2)C(=O)O |
