A1I98
Summary
| Name: | 1-(3-chlorophenyl)urea |
| Formula: | C7 H7 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 170.596 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(3-chlorophenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H7ClN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11) |
| InChIKey | InChI | 1.06 | PPCUBWWPGYHEJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)Nc1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | NC(=O)Nc1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)N |
