Base information

Cat. No.
CAS No.56759-33-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H6BrNO3
Molecular Weight 244.042
Exact Mass 242.953
XLogP3 3.0831
Mr 53.1585
PSA 62.89
Sequence -
Atom number 19
Bond number 19
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles CC(=O)c1ccc(c(c1)Br)[N+](=O)[O-]

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