Base information

Cat. No.
CAS No.116986-10-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H8BrNO2
Molecular Weight 230.059
Exact Mass 228.974
XLogP3 1.7631
Mr 48.3525
PSA 39.19
Sequence -
Atom number 20
Bond number 20
Ring number 1
Rotor number 3
Residues number 0
Canonical smiles COC(=O)c1ccncc1CBr

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