V9U
Summary
| Name: | 3-azanyl-6-chloranyl-isoindol-1-one |
| Formula: | C8 H5 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 180.591 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-azanyl-6-chloranyl-isoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12) |
| InChIKey | InChI | 1.06 | KLICXIFDRLZSGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)c2cc(Cl)ccc12 |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)c2cc(Cl)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)C(=O)N=C2N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)C(=O)N=C2N |
