Base information

Cat. No.
CAS No.72301-65-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H5ClN2O2
Molecular Weight 196.59
Exact Mass 196.004
XLogP3 2.83748
Mr 49.796
PSA 69.61
Sequence -
Atom number 18
Bond number 18
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles [O-][N+](=O)c1ccc(cc1CC#N)Cl

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