9EG
Summary
| Name: | N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea |
| Formula: | C13 H9 Cl3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 315.582 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea |
| OpenEye OEToolkits | 2.0.6 | 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(NC(Nc1ccc(Cl)cc1)=O)ccc(c2Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19) |
| InChIKey | InChI | 1.03 | ICUTUKXCWQYESQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl |
