Base information

Cat. No.
CAS No.72790-96-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H6BrN3O2
Molecular Weight 232.035
Exact Mass 230.964
XLogP3 2.9394
Mr 50.1701
PSA 83.87
Sequence -
Atom number 18
Bond number 18
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles NNc1ccc(cc1Br)[N+](=O)[O-]

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