94856-12-9 Purity
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Specification
The molecular formula is C12H10ClNO.
The molecular weight is 219.66 g/mol.
The IUPAC name is 2-chloro-6,7-dimethylquinoline-3-carbaldehyde.
The InChI is InChI=1S/C12H10ClNO/c1-7-3-9-5-10(6-15)12(13)14-11(9)4-8(7)2/h3-6H,1-2H3.
The InChIKey is MRKMNOLGKUJUSJ-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC2=CC(=C(N=C2C=C1C)Cl)C=O.
The CAS number is 94856-39-0.
The EC number is 809-591-7.
The ChEMBL ID is CHEMBL1447520.
Yes, 2-Chloro-6,7-dimethylquinoline-3-carbaldehyde is a canonicalized compound.
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