Base information

Cat. No.
CAS No.412035-35-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H4BrN3O3
Molecular Weight 246.018
Exact Mass 244.944
XLogP3 2.0747
Mr 48.8539
PSA 101.8
Sequence -
Atom number 17
Bond number 17
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles [O-][N+](=O)c1cc(Br)cnc1C(=O)N

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