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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

ProgramVersionName
ACDLabs12.013-(3,4-dichlorophenyl)-1,1-dimethylurea
OpenEye OEToolkits1.9.23-(3,4-dichlorophenyl)-1,1-dimethyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(NC(=O)N(C)C)cc1Cl
InChIInChI1.03InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKeyInChI1.03XMTQQYYKAHVGBJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
SMILESCACTVS3.385CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl
SMILESOpenEye OEToolkits1.9.2CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl

225158

PDB entries from 2024-09-18

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