Base information

Cat. No.
CAS No.1040682-46-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C7H8BrN3O2
Molecular Weight 246.061
Exact Mass 244.98
XLogP3 2.3415
Mr 54.966
PSA 61.95
Sequence -
Atom number 21
Bond number 21
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles CN(c1ncc(cc1[N+](=O)[O-])Br)C

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