Base information

Cat. No.
CAS No.115929-59-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C7H6BrNO4
Molecular Weight 248.031
Exact Mass 246.948
XLogP3 2.5947
Mr 51.479
PSA 75.28
Sequence -
Atom number 19
Bond number 19
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles COc1cc(Br)c(c(c1)[N+](=O)[O-])O

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