W6A
Summary
| Name: | 4-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 | 4-chloro-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc1c(cc(C(O)=O)n1)c(c2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) |
| InChIKey | InChI | 1.03 | VXZHQADIRFFCMJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2cccc(Cl)c2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2cccc(Cl)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl |
