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2D Structure

Neopentyl iodide


  • SKU Code: CH141592
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Chemical Name - Neopentyl iodide
Mol Weight - 198.042
Smiles - CC(C)(C)CI
Property Name Property Value
Mol NameNeopentyl iodide
Molweight198.042
Monoisotopic Mass197.990548
Clogp2.8284
Clogs-1.715
Total Surface Area100.73
Druglikeness-6.2614
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.68141
Molecular Complexity0.69315
Fragments1
Non H Atoms6
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Sp3 Atoms5
Symmetric Atoms2
SmilesCC(C)(C)CI
InChIKeyInChI=1S/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3
InChICJTZXIJETZZARD-UHFFFAOYSA-N

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