Base information

Cat. No.
CAS No.139194-79-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C7H6BrNO3
Molecular Weight 232.031
Exact Mass 230.953
XLogP3 2.3728
Mr 49.0918
PSA 66.05
Sequence -
Atom number 18
Bond number 18
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles OCc1cc(Br)cc(c1)[N+](=O)[O-]

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