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Di NitroBenzene


  • SKU Code: CH137002
Chemical Name - Di NitroBenzene
Mol Weight - 168.108
Smiles - [O-][N+](c(cccc1)c1[N+]([O-])=O)=O
Property Name Property Value
Mol NameDi NitroBenzene
Molweight168.108
Monoisotopic Mass168.017108
Clogp-0.1836
Clogs-2.536
H Acceptors6
Total Surface Area120.6
Relative Psa0.50448
Polar Surface Area91.64
Druglikeness-7.74
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.5
Molecular Flexibility0.48392
Molecular Complexity0.68239
Fragments1
Non H Atoms12
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms6
Acidic Oxygens2
Smiles[O-][N+](c(cccc1)c1[N+]([O-])=O)=O
InChIKeyInChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
InChIIZUKQUVSCNEFMJ-UHFFFAOYSA-N

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