Chem Bromo Butyronitrile | Cheminformatics
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2D Structure

Bromo Butyronitrile


  • SKU Code: CH138358
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Chemical Name - Bromo Butyronitrile
Mol Weight - 148.003
Smiles - CCC(C#N)Br
Property Name Property Value
Mol NameBromo Butyronitrile
Molweight148.003
Monoisotopic Mass146.96836
Clogp1.4439
Clogs-2.141
H Acceptors1
Total Surface Area92.36
Relative Psa0.14682
Polar Surface Area23.79
Druglikeness-9.2879
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.83333
Molecular Flexibility0.49453
Molecular Complexity0.69315
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers1
Rotatable Bonds1
Sp3 Atoms3
SmilesCCC(C#N)Br
InChIKeyInChI=1S/C4H6BrN/c1-2-4(5)3-6/h4H,2H2,1H3
InChICIBGXJVJPZCMFX-UHFFFAOYSA-N

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