Base information

Cat. No.
CAS No.15862-50-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H5BrN2O3
Molecular Weight 233.019
Exact Mass 231.948
XLogP3 2.2841
Mr 47.251
PSA 67.94
Sequence -
Atom number 17
Bond number 17
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles COc1ncc(cc1Br)[N+](=O)[O-]

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