CAS
935460-30-3 Purity
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935460-30-3 Purity
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Specification
The molecular formula is C7H4ClN3O.
The molecular weight is 181.58 g/mol.
The IUPAC name is 3-chloro-2H-pyrazolo[4,3-c]pyridine-7-carbaldehyde.
The InChI is InChI=1S/C7H4ClN3O/c8-7-5-2-9-1-4(3-12)6(5)10-11-7/h1-3H,(H,10,11).
The InChIKey is BJYMCFNXPAADPJ-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(C2=NNC(=C2C=N1)Cl)C=O.
The XLogP3-AA value is 0.9.
It has 1 hydrogen bond donor count.
The topological polar surface area is 58.6?2.
Yes, the compound is canonicalized.