Base information

Cat. No.
CAS No.1261602-72-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C9H8BrNO
Molecular Weight 226.07
Exact Mass 224.979
XLogP3 2.52378
Mr 50.156
PSA 33.02
Sequence -
Atom number 20
Bond number 20
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles COc1c(CC#N)cccc1Br

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