7WI
1-(3-chlorophenyl)-3-(2-methoxyethyl)urea
Created: | 2013-09-09 |
Last modified: | 2014-10-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 0 |
Bond Count | 28 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea |
Systematic Name (OpenEye OEToolkits) | 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea |
Formula | C10 H13 Cl N2 O2 |
Molecular Weight | 228.675 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(NC(=O)NCCOC)ccc1 |
SMILES | CACTVS | 3.385 | COCCNC(=O)Nc1cccc(Cl)c1 |
SMILES | OpenEye OEToolkits | 1.9.2 | COCCNC(=O)Nc1cccc(c1)Cl |
Canonical SMILES | CACTVS | 3.385 | COCCNC(=O)Nc1cccc(Cl)c1 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | COCCNC(=O)Nc1cccc(c1)Cl |
InChI | InChI | 1.03 | InChI=1S/C10H13ClN2O2/c1-15-6-5-12-10(14)13-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3,(H2,12,13,14) |
InChIKey | InChI | 1.03 | OCWOGWHGSTYVMJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 350221 |