W9M
Summary
Name: | 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea |
Formula: | C9 H10 Cl2 N2 O |
Formal charge: | 0 |
Formula weight: | 233.094 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-(3,4-dichlorophenyl)-1,1-dimethylurea |
OpenEye OEToolkits | 1.9.2 | 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(NC(=O)N(C)C)cc1Cl |
InChI | InChI | 1.03 | InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) |
InChIKey | InChI | 1.03 | XMTQQYYKAHVGBJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 |
SMILES | CACTVS | 3.385 | CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl |