Base information

Cat. No.
CAS No.1000341-25-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H7IN2O
Molecular Weight 274.058
Exact Mass 273.96
XLogP3 2.1761
Mr 55.3027
PSA 37.91
Sequence -
Atom number 19
Bond number 20
Ring number 2
Rotor number 1
Residues number 0
Canonical smiles COc1nccc2c1c(I)c[nH]2

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