Base information

Cat. No.
CAS No.54738-70-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H5BrN4O
Molecular Weight 229.034
Exact Mass 227.965
XLogP3 0.4191
Mr 47.1107
PSA 63.57
Sequence -
Atom number 17
Bond number 18
Ring number 2
Rotor number 0
Residues number 0
Canonical smiles Cn1nc(c2c1nc[nH]c2=O)Br

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