W9M

3-(3,4-dichlorophenyl)-1,1-dimethyl-urea

Created:2013-09-09
Last modified:  2014-10-01

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count24
Aromatic Bond Count6
2D diagram of W9M

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Chemical Component Summary

Name3-(3,4-dichlorophenyl)-1,1-dimethyl-urea
Systematic Name (OpenEye OEToolkits)3-(3,4-dichlorophenyl)-1,1-dimethyl-urea
FormulaC9 H10 Cl2 N2 O
Molecular Weight233.094
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(NC(=O)N(C)C)cc1Cl
SMILESCACTVS3.385CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
SMILESOpenEye OEToolkits1.9.2CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl
Canonical SMILESCACTVS3.385 CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
Canonical SMILESOpenEye OEToolkits1.9.2 CN(C)C(=O)Nc1ccc(c(c1)Cl)Cl
InChIInChI1.03 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)
InChIKeyInChI1.03 XMTQQYYKAHVGBJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 3120
ChEMBL CHEMBL278489
ChEBI CHEBI:116509
COD 2101557