Base information

Cat. No.
CAS No.56355-61-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H6BrNO2S
Molecular Weight 236.086
Exact Mass 234.93
XLogP3 2.0006
Mr 46.0595
PSA 67.43
Sequence -
Atom number 17
Bond number 17
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles Cc1sc(nc1C(=O)OC)Br

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