A1I14
Summary
| Name: | 6-chloranyl-3~{H}-1,3-benzoxazol-2-one |
| Formula: | C7 H4 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 169.565 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-3~{H}-1,3-benzoxazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10) |
| InChIKey | InChI | 1.06 | MATCZHXABVLZIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2NC(=O)Oc2c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2NC(=O)Oc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)OC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)OC(=O)N2 |
