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2D Structure

Iso Butyryl Chloride


  • SKU Code: CH138454
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Chemical Name - Iso Butyryl Chloride
Mol Weight - 106.552
Smiles - CC(C)C(Cl)=O
Property Name Property Value
Mol NameIso Butyryl Chloride
Molweight106.552
Monoisotopic Mass106.018542
Clogp0.7555
Clogs-0.965
H Acceptors1
Total Surface Area83.69
Relative Psa0.15581
Polar Surface Area17.07
Druglikeness-12.543
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.63462
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Sp3 Atoms3
Symmetric Atoms1
SmilesCC(C)C(Cl)=O
InChIKeyInChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
InChIDGMOBVGABMBZSB-UHFFFAOYSA-N

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