CAS
7521-41-7 Purity
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7521-41-7 Purity
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Specification
The molecular formula is C6H5Cl2NO.
The molecular weight is 178.01 g/mol.
The IUPAC name is 4-chloropyridine-3-carbaldehyde;hydrochloride.
The InChI is InChI=1S/C6H4ClNO.ClH/c7-6-1-2-8-3-5(6)4-9;/h1-4H;1H.
The InChIKey is ZFCGVSMSAQHZBE-UHFFFAOYSA-N.
The canonical SMILES is C1=CN=CC(=C1Cl)C=O.Cl.
The CAS number is 1449008-08-5.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 2.
Yes, it is considered a canonicalized compound.