Base information

Cat. No.
CAS No.1221288-27-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H6BrN3O2
Molecular Weight 256.056
Exact Mass 254.964
XLogP3 1.507
Mr 52.8682
PSA 67.87
Sequence -
Atom number 20
Bond number 21
Ring number 2
Rotor number 2
Residues number 0
Canonical smiles COC(=O)c1cc2c(Br)n[nH]c2nc1

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