1-(4-METHOXYPHENYL)-1H-IMIDAZOLIUM CHLORIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII V77KFW5QXW
EPA CompTox DTXSID90905595

Structure

InChI Key IMHCOBXOQQDWFZ-UHFFFAOYSA-N
Smiles [Cl-].O(C=1C=CC(=CC1)[N+]=2C=CNC2)C
InChI
InChI=1/C10H10N2O.ClH/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12;/h2-8H,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11N2O
Molecular Weight 210.06
AlogP 2.3
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 27.05
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 10058-11-4
NORMAN SUSDAT
FDA SRS V77KFW5QXW
CONTENTS