Base information

Cat. No.
CAS No.3456-75-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H5FN2O2
Molecular Weight 180.136
Exact Mass 180.034
XLogP3 2.32318
Mr 44.744
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)F

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