2HQ
Summary
| Name: | 5-chloro-1H-indole-2,3-dione |
| Formula: | C8 H4 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 181.576 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-1H-indole-2,3-dione |
| OpenEye OEToolkits | 1.7.6 | 5-chloranyl-1H-indole-2,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc2c(cc1)NC(=O)C2=O |
| InChI | InChI | 1.03 | InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | XHDJYQWGFIBCEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc2NC(=O)C(=O)c2c1 |
| SMILES | CACTVS | 3.370 | Clc1ccc2NC(=O)C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C(=O)C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C(=O)C(=O)N2 |
