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MLS000059235,ZINC00226985,SMR000069699,1-[2-(2,4-dichlorophenoxy)ethyl

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摘 要:MLS000059235,ZINC00226985,SMR000069699,1-[2-(2,4-dichlorophenoxy)ethyl]-1H-imidazole, 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole,Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OCCN2C=CN=C2,InChI: InChI=1/C11H10Cl2N2O/c12-9-1-2-11(10(13)7-9)16-6-5-15-4-3-14-8-15
[Synonyms]
MLS000059235
ZINC00226985
SMR000069699
1-[2-(2,4-dichlorophenoxy)ethyl]-1H-imidazole

[Structure]
MLS000059235,ZINC00226985,SMR000069699,1-[2-(2,4-dichlorophenoxy)ethyl

[ Properties Computed from Structure]
Molecular Weight257.1159 [g/mol]
Molecular FormulaC11H10Cl2N2O
XLogP3.2
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass256.017018
MonoIsotopic Mass256.017018
Topological Polar Surface Area27.1
Heavy Atom Count16
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole
Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OCCN2C=CN=C2
InChI: InChI=1/C11H10Cl2N2O/c12-9-1-2-11(10(13)7-9)16-6-5-15-4-3-14-8-15/h1-4,
7-8H,5-6H2

 
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