Chem 2 Chloro 13 Dimethylimidazolium Chloride | Cheminformatics
2D Structure

2-Chloro 1,3-Dimethylimidazolium Chloride


  • SKU Code: CH137683
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Chemical Name - 2-Chloro 1,3-Dimethylimidazolium Chloride
Mol Weight - 131.586
Smiles - Cn1c(Cl)[n+](C)cc1.[Cl-]
Property Name Property Value
Mol Name2-Chloro 1,3-Dimethylimidazolium Chloride
Molweight131.586
Monoisotopic Mass131.0376
Clogp-3.1229
Clogs-0.262
H Acceptors2
Total Surface Area99.7
Relative Psa0.09659
Polar Surface Area8.81
Druglikeness0.36022
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.625
Molecular Complexity0.73611
Fragments2
Non H Atoms8
Non Ch Atoms3
Electronegative Atoms3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms2
Aromatic Nitrogens2
SmilesCn1c(Cl)[n+](C)cc1.[Cl-]
InChIKeyInChI=1S/C5H8ClN2.ClH/c1-7-3-4-8(2)5(7)6;/h3-4H,1-2H3;1H/q+1;/p-1
InChIPTDNHYVEBIHJBK-UHFFFAOYSA-M

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