3452-97-9 Purity
83%
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Specification
The molecular formula of the compound is C8H5FN2O.
The molecular weight of the compound is 164.14 g/mol.
The IUPAC name of the compound is 5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde.
The InChI of the compound is InChI=1S/C8H5FN2O/c9-7-3-11-8-5(1-2-10-8)6(7)4-12/h1-4H,(H,10,11).
The InChIKey of the compound is QILHLWLSZHECBY-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CNC2=NC=C(C(=C21)C=O)F.
The CAS number of the compound is 1190310-15-6.
The DSSTox Substance ID of the compound is DTXSID20678427.
The XLogP3-AA value of the compound is 0.9.
Yes, the compound is canonicalized.