Base information

Cat. No.
CAS No.81190-89-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C5H5BrN2O2
Molecular Weight 205.009
Exact Mass 203.953
XLogP3 0.9588
Mr 37.5672
PSA 54.98
Sequence -
Atom number 15
Bond number 15
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles COC(=O)c1n[nH]cc1Br

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