Base information

Cat. No.
CAS No.173312-36-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C7H7BrN2O3
Molecular Weight 247.046
Exact Mass 245.964
XLogP3 3.0525
Mr 53.8604
PSA 81.07
Sequence -
Atom number 20
Bond number 20
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles COc1cc(N)c(cc1Br)[N+](=O)[O-]

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