Base information

Cat. No.
CAS No.1083196-29-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C9H6BrNO3
Molecular Weight 256.053
Exact Mass 254.953
XLogP3 2.3769
Mr 52.9885
PSA 52.33
Sequence -
Atom number 20
Bond number 21
Ring number 2
Rotor number 2
Residues number 0
Canonical smiles COC(=O)c1cc2c(o1)ncc(c2)Br

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