Base information

Cat. No.
CAS No.124840-60-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H5BrN2O2
Molecular Weight 241.041
Exact Mass 239.953
XLogP3 2.94658
Mr 52.486
PSA 69.61
Sequence -
Atom number 18
Bond number 18
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles N#CCc1ccc(c(c1)Br)[N+](=O)[O-]

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